InChI=1/C6H5.3CH3.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H3;/rC9H14Sn/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3

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1 hit(s) found in 0.08 seconds
Search term: COHOGNZHAUOXPA-BZRAOJDAAC
Found by InChIKey (full match)

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Inherent Properties, Identifiers and References

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ChemSpider ID:	109715
Empirical Formula:	C₉H₁₄Sn
Molecular Weight:	240.9175
Nominal Mass:	242 Da
Average Mass:	240.9175 Da
Monoisotopic Mass:	242.011749 Da

Quick Links: Permalink Similar Isomers Wikibox

Systematic Name:

trimethyl-phenyl-stannane

SMILES:

c1cc(ccc1)[Sn](C)(C)C

InChI:

InChI=1/C6H5.3CH3.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H3;/rC9H14Sn/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3

InChIKey:

COHOGNZHAUOXPA-BZRAOJDAAC

Std. InChI:

InChI=1S/C6H5.3CH3.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H3;

Std. InChIKey:

COHOGNZHAUOXPA-UHFFFAOYSA-N

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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Phenyltrimethyl tin

stannane, trimethylphenyl-

trimethyl(phenyl)stannane

Trimethylphenylstannane

934-56-5 [RN]

stannane, trimethyl(phenyl)-

Trimethyl(phenyl)tin

Database ID(s)

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(Details...)

ACD/Labs Predicted Properties

ACD/LogP:	5.24	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	5.24	ACD/LogD (pH 7.4):	5.24
ACD/BCF (pH 5.5):	5640.67	ACD/BCF (pH 7.4):	5640.67
ACD/KOC (pH 5.5):	16857.56	ACD/KOC (pH 7.4):	16857.56
#H bond acceptors:	0	#H bond donors:	0
#Freely Rotating Bonds:	1	Polar Surface Area:	0 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	76.1 °C	Enthalpy of Vaporization:	42.47 kJ/mol
Boiling Point:	206.6 °C at 760 mmHg	Vapour Pressure:	0.338 mmHg at 25°C

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