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536697-79-7

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Basic Information
CAS No.: 536697-79-7
Name: O-1918
Article Data: 2
Molecular Structure:
Molecular Structure of 536697-79-7 (O-1918)
Formula: C19H26O2
Molecular Weight: 286.414
Synonyms: O-1918;
Density: 0.981 g/cm3
Boiling Point: 383.9 °C at 760 mmHg
Flash Point: 134.6 °C
PSA: 18.46000
LogP: 5.02820
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Specification

The Benzene, 1, 3-dimethoxy-5-methyl-2-[(1R, 6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-, with the CAS registry number 536697-79-7, is also known as O-1918. This chemical's molecular formula is C19H26O2 and molecular weight is 286.41. What's more, its systematic name is 2-[(1R, 6R)-6-Isopropenyl-3-methyl-cyclohex-2-en-1-yl]-1,3-dimethoxy-5-methyl-benzene. In addition, it must be stored at -20 °C.

Physical properties about Benzene, 1, 3-dimethoxy-5-methyl-2-[(1R, 6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- are: (1)ACD/LogP: 6.08; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.08; (4)ACD/LogD (pH 7.4): 6.08; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 18.46 Å2; (9)Index of Refraction: 1.515; (10)Molar Refractivity: 87.98 cm3; (11)Molar Volume: 291.7 cm3; (12)Polarizability: 34.87×10-24 cm3; (13)Surface Tension: 32.3 dyne/cm; (14)Density: 0.981 g/cm3; (15)Flash Point: 134.6 °C; (16)Enthalpy of Vaporization: 60.78 kJ/mol; (17)Boiling Point: 383.9 °C at 760 mmHg; (18)Vapour Pressure: 9.38E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(c(c(c1)OC)C2C=C(CCC2C(=C)C)C)OC
(2) InChI: InChI=1/C19H26O2/c1-12(2)15-8-7-13(3)9-16(15)19-17(20-5)10-14(4)11-18(19)21-6/h9-11,15-16H,1,7-8H2,2-6H3/t15-,16+/m0/s1
(3) InChIKey: ICHJMVMWPKLUKT-JKSUJKDBBM