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56974-07-3

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Basic Information
CAS No.: 56974-07-3
Name: 1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methylpent-4-en-1-one
Article Data: 2
Molecular Structure:
Molecular Structure of 56974-07-3 (1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methylpent-4-en-1-one)
Formula: C14H22O
Molecular Weight: 206.328
Synonyms: 1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methylpent-4-en-1-one;1-(5,5-Dimethyl-1-cyclohexen-1-yl)-3-methyl-4-penten-1-one
EINECS: 260-490-9
Density: 0.901 g/cm3
Boiling Point: 281.2 °C at 760 mmHg
Flash Point: 112.4 °C
PSA: 17.07000
LogP: 3.90420
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  • 4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl-

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    56974-07-3

    4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl-

    Min.Order: 1 Gram

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Specification

The 4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl- has CAS registry number 56974-07-3. Its EINECS number is 260-490-9. This chemical's molecular formula is C14H22O and molecular weight is 206.32. What's more, its systematic name is 1-(5,5-dimethylcyclohex-1-en-1-yl)-3-methylpent-4-en-1-one.

Physical properties of 4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl- are: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.34; (4)ACD/LogD (pH 7.4): 4.34; (5)ACD/BCF (pH 5.5): 1174.52; (6)ACD/BCF (pH 7.4): 1174.52; (7)ACD/KOC (pH 5.5): 5482.85; (8)ACD/KOC (pH 7.4): 5482.85; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 64.01 cm3; (15)Molar Volume: 228.9 cm3; (16)Polarizability: 25.37×10-24cm3; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.901 g/cm3; (19)Flash Point: 112.4 °C; (20)Enthalpy of Vaporization: 52 kJ/mol; (21)Boiling Point: 281.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00361 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C1=C\CCC(C)(C)C1)CC(\C=C)C
(2)Std. InChI: InChI=1S/C14H22O/c1-5-11(2)9-13(15)12-7-6-8-14(3,4)10-12/h5,7,11H,1,6,8-10H2,2-4H3
(3)Std. InChIKey: UUQUGOSCTSPPIO-UHFFFAOYSA-N