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22354-35-4

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Basic Information
CAS No.: 22354-35-4
Name: 2-cyclopentylcyclopent-2-en-1-one
Molecular Structure:
Molecular Structure of 22354-35-4 (2-cyclopentylcyclopent-2-en-1-one)
Formula: C10H14O
Molecular Weight: 150.221
Synonyms: 1,1'-Bi(cyclopentan)-5-en-2-one;
EINECS: 244-931-2
Density: 1.081 g/cm3
Boiling Point: 253.4 °C at 760 mmHg
Flash Point: 106.4 °C
PSA: 17.07000
LogP: 2.46590
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Specification

The 2-Cyclopenten-1-one, 2-cyclopentyl-, with the CAS registry number of 22354-35-4, is also known as 1,1'-Bi(cyclopentan)-5-en-2-one. Its EINECS registry number is 244-931-2. This chemical's molecular formula is C10H14O and molecular weight is 150.21756. What's more, its IUPAC name is 2-Cyclopentylcyclopent-2-en-1-one.

Physical properties about the 2-Cyclopenten-1-one, 2-cyclopentyl- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.64; (6)ACD/BCF (pH 7.4): 20.64; (7)ACD/KOC (pH 5.5): 303.91; (8)ACD/KOC (pH 7.4): 303.91; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 43.89 cm3; (15)Molar Volume: 138.8 cm3; (16)Surface Tension: 44.4 dyne/cm; (17)Density: 1.081 g/cm3; (18)Flash Point: 106.4 °C; (19)Enthalpy of Vaporization: 49.08 kJ/mol; (20)Boiling Point: 253.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0183 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C(=C/CC1)C2CCCC2
(2) InChI: InChI=1/C10H14O/c11-10-7-3-6-9(10)8-4-1-2-5-8/h6,8H,1-5,7H2
(3) InChIKey: IAHUXRDIKWJXQM-UHFFFAOYAX