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4,4'-Isopropylidenedicyclohexanol

4,4'-Isopropylidenedicyclohexanol

Name: 4,4'-Isopropylidenedicyclohexanol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Inquiry

Molecular Formula:

C15H28O2

Molecular Weight:

240.38

CAS Number:

80-04-6

Catalog Number:

80-04-6

Product Information

Molecular Formula:

C15H28O2

Molecular Weight:

240.38

Description

4,4'-Isopropylidenedicyclohexanol, or Isododecanol in the industry, is a synthetic compound that holds great promise in the realm of pharmaceutical science.

Synonyms

BISPHENOL A HYDROGENATED; HYDROGENATED BISPHENOL A; 4,4'-ISOPROPYLIDENEDICYCLOHEXANOL; 2,2-BIS(4-HYDROXYCYCLOHEXYL)PROPANE; 2,2-BIS(4-HYDROXYCYCLOHEXYL)PROPANONE; P,P'-DIHYDROXY-2,2-DICYCLOHEXYLPROPANE; PERHYDROBISPHENOL A; 4,4'-(1-methylethylidene)bis-cyclohex

IUPAC Name

4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol

Canonical SMILES

CC(C)(C1CCC(CC1)O)C2CCC(CC2)O

InChI

InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3

InChI Key

CDBAMNGURPMUTG-UHFFFAOYSA-N

Boiling Point

230-234°C

Flash Point

Not applicable

Purity

98%

Density

1.048 g/cm3

Appearance

White flakes

Safety Information

Hazards

H319

Precautionary Statement

P305 + P351 + P338

Computed Properties

XLogP3

3.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

240.208930132 g/mol

Monoisotopic Mass

240.208930132 g/mol

Topological Polar Surface Area

40.5Å²

Heavy Atom Count

Formal Charge

Complexity

209

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

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