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7145-20-2

Basic Information
CAS No.: 7145-20-2
Name: 2,3-DIMETHYL-2-HEXENE
Article Data: 11
Molecular Structure:
Molecular Structure of 7145-20-2 (2,3-DIMETHYL-2-HEXENE)
Formula: C8H16
Molecular Weight: 112.215
Synonyms: 2,3-Dimethyl-2-hexene;
EINECS: 230-452-6
Density: 0.729 g/cm3
Melting Point: -115.1°C
Boiling Point: 122 °C at 760 mmHg
Flash Point: 15.6 °C
PSA: 0.00000
LogP: 3.14280
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Specification

The 2-Hexene, 2,3-dimethyl-, with the CAS registry number of 7145-20-2, is also known as 2,3-Dimethyl-2-hexene. Its EINECS registry number is 230-452-6. This chemical's molecular formula is C8H16 and molecular weight is 112.21. What's more, its IUPAC name is  2,3-Dimethylhex-2-ene.

Physical properties about the 2-Hexene, 2,3-dimethyl- are: (1)ACD/LogP: 4.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.53; (4)ACD/LogD (pH 7.4): 4.53; (5)ACD/BCF (pH 5.5): 1631.62; (6)ACD/BCF (pH 7.4): 1631.62; (7)ACD/KOC (pH 5.5): 6937.3; (8)ACD/KOC (pH 7.4): 6937.3; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 38.85 cm3; (15)Molar Volume: 153.8 cm3; (16)Surface Tension: 21.1 dyne/cm; (17)Density: 0.729 g/cm3; (18)Flash Point: 15.6 °C; (19)Enthalpy of Vaporization: 34.52 kJ/mol; (20)Boiling Point: 122 °C at 760 mmHg; (21)Vapour Pressure: 17.1 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: C(=C(/C)CCC)(\C)C
(2) InChI: InChI=1/C8H16/c1-5-6-8(4)7(2)3/h5-6H2,1-4H3
(3) InChIKey: RGYAVZGBAJFMIZ-UHFFFAOYAY