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Search term: NHKMREAEWQBYGV (Found by InChIKey (skeleton match))

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- Double-bond stereo

(2E)-2-Ethyl-2-nonenal

ChemSpider ID: 21416149
Molecular Formula: C₁₁H₂₀O
Monoisotopic mass: 168.151000976563 Da
Systematic name

(2E)-2-Ethyl-2-nonenal
SMILES and InChIs

SMILES:

CCC(=C\CCCCCC)/C=O Copied

Std. InChI:

InChI=1S/C11H20O/c1-3-5-6-7-8-9-11(4-2)10-12/h9-10H,3-8H2,1-2H3/b11-9+ Copied

Std. InChIKey:

NHKMREAEWQBYGV-PKNBQFBNSA-N Copied

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Properties

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	4.253	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	4.25	ACD/LogD (pH 7.4):	4.25
ACD/BCF (pH 5.5):	1006.00	ACD/BCF (pH 7.4):	1006.00
ACD/KOC (pH 5.5):	4907.48	ACD/KOC (pH 7.4):	4907.48
#H bond acceptors:	1	#H bond donors:	0
#Freely Rotating Bonds:	7	Polar Surface Area:	17.07 Å²
Index of Refraction:	1.441	Molar Refractivity:	53.098 cm³
Molar Volume:	200.844 cm³	Polarizability:	21.05 10^-24cm³
Surface Tension:	28.0130004882813 dyne/cm	Density:	0.838 g/cm³
Flash Point:	74.255 °C	Enthalpy of Vaporization:	48.091 kJ/mol
Boiling Point:	243.881 °C at 760 mmHg	Vapour Pressure:	0.0309999994933605 mmHg at 25°C

Click to predict properties on the Chemicalize site

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