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2613-69-6

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Basic Information
CAS No.: 2613-69-6
Name: (1α,2α,3α)-1,2,3-Trimethylcyclopentane
Molecular Structure:
Molecular Structure of 2613-69-6 ((1α,2α,3α)-1,2,3-Trimethylcyclopentane)
Formula: C8H16
Molecular Weight: 112.215
Synonyms: Cyclopentane,1,2,3-trimethyl-, cis-1,2,cis-1,3- (8CI);1-cis-2-cis-3-Trimethylcyclopentane;
Density: 0.755 g/cm3
Melting Point: -116.43°C
Boiling Point: 116.338 °C at 760 mmHg
Flash Point: 9.244 °C
PSA: 0.00000
LogP: 2.68850
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Specification

The Cyclopentane,1,2,3-trimethyl-, (1a,2a,3a)-, with the CAS registry number 2613-69-6, is also known as Cyclopentane,1,2,3-trimethyl-, cis-1,2,cis-1,3- (8CI) and 1-cis-2-cis-3-Trimethylcyclopentane. This chemical's molecular formula is C8H16 and molecular weight is 112.2126. What's more, its IUPAC name is 1,2,3-Trimethylcyclopentane.

Physical properties about Cyclopentane,1,2,3-trimethyl-, (1a,2a,3a)- are: (1) ACD/LogP: 4.24; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4; (4) ACD/LogD (pH 7.4): 4; (5) ACD/BCF (pH 5.5): 108; (6) ACD/BCF (pH 7.4): 1087; (7) ACD/KOC (pH 5.5): 5187; (8) ACD/KOC (pH 7.4): 5187; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.414; (14) Molar Refractivity: 37.183 cm3; (15) Molar Volume: 148.691 cm3; (16) Polarizability: 14.74×10-24 cm3; (17) Surface Tension: 20.974 dyne/cm; (18) Density: 0.755 g/cm3; (19) Flash Point: 9.244 °C; (20) Enthalpy of Vaporization: 34 kJ/mol; (21) Boiling Point: 116.338 °C at 760 mmHg; (22) Vapour Pressure: 21.762 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H]1CC[C@@H](C)[C@H]1C
(2) InChI: InChI=1/C8H16/c1-6-4-5-7(2)8(6)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-
(3) InChIKey: VCWNHOPGKQCXIQ-RNLVFQAGBA