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Basic Information
CAS No.: 7418-16-8
Name: 2,2-BIS(4-OXOCYCLOHEXYL)PROPANE
Article Data: 6
Molecular Structure:
Molecular Structure of 7418-16-8 (2,2-BIS(4-OXOCYCLOHEXYL)PROPANE)
Formula: C15H24O2
Molecular Weight: 236.354
Synonyms: Cyclohexanone,4,4'-isopropylidenedi- (7CI,8CI);2,2-Bis(4-oxocyclohexyl)propane;4,4'-(1-Methylethylidene)bis[cyclohexanone];4,4'-Isopropylidenedicyclohexanone;NSC 36631;
EINECS: 231-035-1
Density: 1.035 g/cm3
Melting Point: 164 °C
Boiling Point: 358.3 °C at 760 mmHg
Flash Point: 134.4 °C
Appearance: white powder
PSA: 34.14000
LogP: 3.53120
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Specification

The Cyclohexanone,4,4'-(1-methylethylidene)bis-, with the CAS registry number 7418-16-8, is also known as Cyclohexanone,4,4'-isopropylidenedi- (7CI,8CI) and 4,4'-Isopropylidenedicyclohexanone. Its EINECS registry number is 231-035-1. This chemical's molecular formula is C15H24O2 and molecular weight is 236.3499. What's more, its IUPAC name is 4-[2-(4-Oxocyclohexyl)propan-2-yl]cyclohexan-1-one.

Physical properties about Cyclohexanone,4,4'-(1-methylethylidene)bis- are: (1) ACD/LogP: 1.92; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.92; (4) ACD/LogD (pH 7.4): 1.92; (5) ACD/BCF (pH 5.5): 16.91; (6) ACD/BCF (pH 7.4): 16.91; (7) ACD/KOC (pH 5.5): 263.44; (8) ACD/KOC (pH 7.4): 263.44; (9) #H bond acceptors: 2; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 34.14 Å2; (13) Index of Refraction: 1.5; (14) Molar Refractivity: 67.16 cm3; (15) Molar Volume: 228.1 cm3; (16) Polarizability: 26.62×10-24 cm3; (17) Surface Tension: 40.1 dyne/cm; (18) Density: 1.035 g/cm3; (19) Flash Point: 134.4 °C; (20) Enthalpy of Vaporization: 60.38 kJ/mol; (21) Boiling Point: 358.3 °C at 760 mmHg; (22) Vapour Pressure: 2.57E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCC(CC1)C(C)(C)C2CCC(=O)CC2
(2) InChI: InChI=1/C15H24O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-12H,3-10H2,1-2H3
(3) InChIKey: HAWVCXABNZBPED-UHFFFAOYAI