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- Double-bond stereo

(13cis)-7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene

ChemSpider ID: 13185015
Molecular Formula: C₄₀H₆₄
Monoisotopic mass: 544.500793 Da
Systematic name

(13cis)-7,7',8,8',11,11',12,12'-Octahydro-psi,psi-carotene
SMILES and InChIs

SMILES:

C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CCC(/C)=C\C=C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C Copied

Std. InChI:

InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21-,36-22+,37-27+,38-28+,39-29+,40-30+ Copied

Std. InChIKey:

YVLPJIGOMTXXLP-UPMZUIFGSA-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:	16.603	# of Rule of 5 Violations:	2
ACD/LogD (pH 5.5):	16.60	ACD/LogD (pH 7.4):	16.60
ACD/BCF (pH 5.5):	1000000.00	ACD/BCF (pH 7.4):	1000000.00
ACD/KOC (pH 5.5):	10000000.00	ACD/KOC (pH 7.4):	10000000.00
#H bond acceptors:	0	#H bond donors:	0
#Freely Rotating Bonds:	20	Polar Surface Area:	0 Å²
Index of Refraction:	1.504	Molar Refractivity:	186.626 cm³
Molar Volume:	629.748 cm³	Polarizability:	73.984 10^-24cm³
Surface Tension:	30.3339996337891 dyne/cm	Density:	0.865 g/cm³
Flash Point:	332.983 °C	Enthalpy of Vaporization:	88.559 kJ/mol
Boiling Point:	620.258 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

Click to predict properties on the Chemicalize site

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