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39268-96-7

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Basic Information
CAS No.: 39268-96-7
Name: 7,11-Dimethyldodec-10-en-3-one
Molecular Structure:
Molecular Structure of 39268-96-7 (7,11-Dimethyldodec-10-en-3-one)
Formula: C14H26O
Molecular Weight: 210.36
Synonyms: 10-Dodecen-3-one, 7,11-dimethyl-;7,11-Dimethyl-10-dodecen-3-one;
EINECS: 254-394-6
Density: 0.839 g/cm3
Boiling Point: 304.3 °C at 760 mmHg
Flash Point: 111.7 °C
PSA: 17.07000
LogP: 4.51830
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Specification

This product is an organic compound with the formula C14H26O. The systematic name of this chemical is 7,11-Dimethyldodec-10-en-3-one. With the CAS registry number 39268-96-7, it is also named as 10-Dodecen-3-one, 7,11-dimethyl-. In addition, the molecular weight is 210.36 and its EINECS number is 254-394-6.

Physical properties of 7,11-Dimethyldodec-10-en-3-one are: (1)ACD/LogP: 5.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.01; (4)ACD/LogD (pH 7.4): 5.01; (5)ACD/BCF (pH 5.5): 3755.77; (6)ACD/BCF (pH 7.4): 3755.77; (7)ACD/KOC (pH 5.5): 12599.79; (8)ACD/KOC (pH 7.4): 12599.79; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 66.79 cm3; (15)Molar Volume: 250.5 cm3; (16)Polarizability: 26.48×10-24 cm3; (17)Surface Tension: 27.7 dyne/cm; (18)Density: 0.839 g/cm3; (19)Flash Point: 111.7 °C; (20)Enthalpy of Vaporization: 54.47 kJ/mol; (21)Boiling Point: 304.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000881 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(=O)CCCC(C)CCC=C(C)C
(2)InChI: InChI=1S/C14H26O/c1-5-14(15)11-7-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3
(3)InChIKey: BHIKFSYWWLGMRR-UHFFFAOYSA-N