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Basic Information
CAS No.: 1117-52-8
Name: (5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one
Molecular Structure:
Molecular Structure of 1117-52-8 ((5E,9E)-6,10,14-Trimethylpentadeca-5,9,13-trien-2-one)
Formula: C18H30O
Molecular Weight: 262.436
Synonyms: 5,9,13-Pentadecatrien-2-one,6,10,14-trimethyl-, (E,E)- (8CI);(E,E)-6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one;E,E-Farnesylacetone;
EINECS: 214-246-3
Density: 0.866 g/cm3
Boiling Point: 372.773 °C at 760 mmHg
Flash Point: 140.43 °C
Safety: 24/25
PSA: 17.07000
LogP: 5.77480
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Specification

The Farnesyl acetone is an organic compound with the formula C18H30O. The IUPAC name of this chemical is (5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-2-one. With the CAS registry number 1117-52-8, it is also named as 5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-.

Physical properties about Farnesyl acetone are: (1)ACD/LogP: 6.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.16; (4)ACD/LogD (pH 7.4): 6.16; (5)ACD/BCF (pH 5.5): 28486.55; (6)ACD/BCF (pH 7.4): 28486.55; (7)ACD/KOC (pH 5.5): 53729.9; (8)ACD/KOC (pH 7.4): 53729.9; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 85.17 cm3; (14)Molar Volume: 303 cm3; (15)Polarizability: 33.76×10-24cm3; (16)Surface Tension: 29 dyne/cm; (17)Density: 0.866 g/cm3; (18)Flash Point: 140.4 °C; (19)Enthalpy of Vaporization: 62 kJ/mol; (20)Boiling Point: 372.8 °C at 760 mmHg; (21)Vapour Pressure: 9.39E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CC/C=C(/CC/C=C(\C)CC\C=C(/C)C)C)C
(2)InChI: InChI=1/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
(3)InChIKey: LTUMRKDLVGQMJU-IUBLYSDUBO
(4)Std. InChI: InChI=1S/C18H30O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
(5)Std. InChIKey: LTUMRKDLVGQMJU-IUBLYSDUSA-N