Name: TRANS,TRANS-4-BUT-3-ENYL-4''-P-TOLYL-BICYCLOHEXYL
SKU: 129738-42-7

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Basic Information

Molecular Structure:
CAS No.:	129738-42-7
Name:	TRANS,TRANS-4-BUT-3-ENYL-4''-P-TOLYL-BICYCLOHEXYL

Formula:	C₂₃H₃₄
Molecular Weight:	310.52
Synonyms:	Benzene,1-[(trans,trans)-4'-(3-butenyl)[1,1'-bicyclohexyl]-4-yl]-4-methyl-(9CI);Benzene, 1-[4'-(3-butenyl)[1,1'-bicyclohexyl]-4-yl]-4-methyl-,[trans(trans)]-;CCP-V 2-1;
Density:	0.933±0.06 g/cm3 (20 ºC 760 Torr)
Melting Point:	101.0 to 105.0 °C
Boiling Point:	417.6±15.0 °C(Predicted)
PSA:	0.00000
LogP:	7.04140

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Specification

The Benzene,1-[(trans,trans)-4'-(3-buten-1-yl)[1,1'-bicyclohexyl]-4-yl]-4-methyl-, with CAS registry number 129738-42-7, has the systematic name of 4-but-3-en-1-yl-4'-(4-methylphenyl)-1,1'-bi(cyclohexyl). Besides this, it is also called Trans,trans-4-but-3-enyl-4''-p-tolyl-bicyclohexyl. And the chemical formula of this chemical is C₂₃H₃₄.

Physical properties of Benzene,1-[(trans,trans)-4'-(3-buten-1-yl)[1,1'-bicyclohexyl]-4-yl]-4-methyl-: (1)ACD/LogP: 9.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.33; (4)ACD/LogD (pH 7.4): 9.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2819901.5; (8)ACD/KOC (pH 7.4): 2819901.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 100.97 cm³; (15)Molar Volume: 332.6 cm³; (16)Polarizability: 40.02×10^-24cm³; (17)Surface Tension: 35.1 dyne/cm; (18)Density: 0.933 g/cm³; (19)Flash Point: 209.9 °C; (20)Enthalpy of Vaporization: 64.5 kJ/mol; (21)Boiling Point: 417.6 °C at 760 mmHg; (22)Vapour Pressure: 8.5E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)C2CCC(CC2)C3CCC(CC3)CCC=C
(2)InChI: InChI=1/C23H34/c1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20/h3,6-7,10-11,19,21-23H,1,4-5,8-9,12-17H2,2H3
(3)InChIKey: OXPUOKDPOMJNKA-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C23H34/c1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20/h3,6-7,10-11,19,21-23H,1,4-5,8-9,12-17H2,2H3
(5)Std. InChIKey: OXPUOKDPOMJNKA-UHFFFAOYSA-N