ChemSpider | CSID:19478999 | C40H64

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ChemSpider ID: 19478999
Molecular Formula: C₄₀H₆₄
Monoisotopic mass: 544.500793 Da
Systematic name
SMILES and InChIs

SMILES:

CC3(C)C(C)(C)C(Cc1c(C)c(C)c(CC)c(C)c1C)C(Cc2c(C)c(C)c(CC)c(C)c2C)C(C)(C)C3(C)C Copied

Std. InChI:

InChI=1S/C40H64/c1-19-31-23(3)27(7)33(28(8)24(31)4)21-35-36(38(13,14)40(17,18)39(15,16)37(35,11)12)22-34-29(9)25(5)32(20-2)26(6)30(34)10/h35-36H,19-22H2,1-18H3 Copied

Std. InChIKey:

GBQYXUFEFBLXKY-UHFFFAOYSA-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:	16.272	# of Rule of 5 Violations:	2
ACD/LogD (pH 5.5):	16.27	ACD/LogD (pH 7.4):	16.27
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:	6	Polar Surface Area:	0 Å²
Index of Refraction:	1.502	Molar Refractivity:	180.987 cm³
Molar Volume:	612.549 cm³	Polarizability:	71.749 10^-24cm³
Surface Tension:	31.3059997558594 dyne/cm	Density:	0.89 g/cm³
Flash Point:	369.104 °C	Enthalpy of Vaporization:	85.832 kJ/mol
Boiling Point:	598.437 °C at 760 mmHg	Vapour Pressure:	0 mmHg at 25°C

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