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29711-16-8

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Basic Information
CAS No.: 29711-16-8
Name: 2-isopentylcyclopent-2-en-1-one
Article Data: 5
Molecular Structure:
Molecular Structure of 29711-16-8 (2-isopentylcyclopent-2-en-1-one)
Formula: C10H16O
Molecular Weight: 152.236
Synonyms: 2-Cyclopenten-1-one,2-isopentyl- (7CI,8CI);2-Isopentyl-2-cyclopentenone;
EINECS: 249-797-9
Density: 0.928 g/cm3
Boiling Point: 230.6 °C at 760 mmHg
Flash Point: 94.2 °C
PSA: 17.07000
LogP: 2.71190
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Specification

The 2-Cyclopenten-1-one, 2-(3-methylbutyl)-, with the CAS registry number 29711-16-8, is also known as 2-Isopentylcyclopent-2-en-1-one. Its EINECS registry number is 249-797-9. This chemical's molecular formula is C10H16O and molecular weight is 152.23344. What's more, its IUPAC name is 2-(3-Methylbutyl)cyclopent-2-en-1-one.

Physical properties about 2-Cyclopenten-1-one, 2-(3-methylbutyl)- are: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.48; (4)ACD/LogD (pH 7.4): 2.48; (5)ACD/BCF (pH 5.5): 45.07; (6)ACD/BCF (pH 7.4): 45.07; (7)ACD/KOC (pH 5.5): 531.43; (8)ACD/KOC (pH 7.4): 531.43; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 45.97 cm3; (15)Molar Volume: 163.9 cm3; (16)Polarizability: 18.22×10-24 cm3; (17)Surface Tension: 31.3 dyne/cm; (18)Density: 0.928 g/cm3; (19)Flash Point: 94.2 °C; (20)Enthalpy of Vaporization: 46.73 kJ/mol; (21)Boiling Point: 230.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0652 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C(=C/CC1)CCC(C)C
(2) InChI: InChI=1/C10H16O/c1-8(2)6-7-9-4-3-5-10(9)11/h4,8H,3,5-7H2,1-2H3
(3) InChIKey: BVUSMSOTLWGFKV-UHFFFAOYAT