Chemical Identifier Search

Ads on ChemSpider

ChemZoo Consultancy Services

SKS Science Products

ChemDoodle

Place Your Ad Here

Systematic Name, Synonym, Trade Name,
Registry Number, SMILES or InChI

Information

Options

Single/Multi-component Search Any Search Single-Component Structures Only Search Multi-Component Structures Only	Isotopically Labeled Search Any Search Isotopically Labeled Structures Only Disregard Isotopically Labeled Structures
Additional Filters Filter only those having spectra associated Filter only those having patents link	Search Hits Limit

431 hits found in 0.22 seconds.
Search terms: C6H12O
Found by empirical formula

GridTileTableRecordChemReferEntrezPubChem

1

ID

Structure

Empirical Formula

Molecular Weight

Monoisotopic Mass, Da

LogP

ACD/LogD (pH 5.5)

ACD/LogD (pH 7.4)

InChI=1/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.79
XLogP:	2.20
ALOGPS:	1.92

1.78

1.78

InChI=1/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.97
XLogP:	2.30
ALOGPS:	2.37

1.97

1.97

InChI=1/C6H12O/c1-5(7)6(2,3)4/h1-4H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.07
XLogP:	0.90
ALOGPS:	1.59

1.07

1.07

InChI=1/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.79
XLogP:	2.00
ALOGPS:	2.19

1.78

1.78

InChI=1/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.25
XLogP:	1.50
ALOGPS:	1.31

1.25

1.25

InChI=1/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.34
XLogP:	1.30
ALOGPS:	1.35

1.34

1.34

InChI=1/C6H12O/c1-4-7-5-6(2)3/h4,6H,1,5H2,2-3H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.92
XLogP:	1.90

1.92

1.92

InChI=1/C6H12O/c1-3-5-6-7-4-2/h4H,2-3,5-6H2,1H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	2.10
XLogP:	2.20

2.1

2.1

InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.61
XLogP:	1.50
ALOGPS:	1.69

1.61

1.61

InChI=1/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.25
XLogP:	1.30
ALOGPS:	1.48

1.25

1.25

InChI=1/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.25
XLogP:	1.00
ALOGPS:	1.45

1.25

1.25

InChI=1/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.44
XLogP:	1.30
ALOGPS:	1.59

1.44

1.44

InChI=1/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.44
XLogP:	1.60
ALOGPS:	1.45

1.44

1.44

InChI=1/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.46
XLogP:	1.20
ALOGPS:	1.63

1.46

1.46

InChI=1/C6H12O/c1-4-6(3,7)5-2/h4,7H,1,5H2,2-3H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.40
XLogP:	1.10

1.4

1.4

InChI=1/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.76
XLogP:	1.70
ALOGPS:	1.79

1.75

1.75

InChI=1/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.31
XLogP:	1.40
ALOGPS:	1.59

1.31

1.31

InChI=1/C6H12O/c1-4-5-6(2,3)7-5/h5H,4H2,1-3H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.26
XLogP:	1.50
ALOGPS:	1.82

1.25

1.25

InChI=1/C6H12O/c1-2-3-4-6-5-7-6/h6H,2-5H2,1H3

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.72
XLogP:	1.80
ALOGPS:	1.90

1.72

1.72

C₆H₁₂O

100.1589

100.088815

ACD/LogP:	1.81
ALOGPS:	1.89

1.81

1.81

1