4-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol

C₁₆H₂₈OCAS 66068-84-6236.40 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₈O
Molar mass: 236.40 g/mol
Exact mass: 236.2140 Da
logP: 3.86Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation88.2% of notifiers
H319 Causes serious eye irritation76.4% of notifiers
H400 Very toxic to aquatic life10.2% of notifiers
H411 Toxic to aquatic life with long lasting effects21.2% of notifiers

Aggregated from 364 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

66068-84-6

SMILES

CC1C2CC(CC2C2CCC(O)CC2)C1(C)C

InChIKey

PCFHYANYPQEMPU-UHFFFAOYSA-N

InChI

InChI=1S/C16H28O/c1-10-14-8-12(16(10,2)3)9-15(14)11-4-6-13(17)7-5-11/h10-15,17H,4-9H2,1-3H3

Weigh it out

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Names and synonyms

4 names

Cyclohexanol, 4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)-
4-Hydroxy-1-(5-isocamphyl)cyclohexane
4-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexan-1-ol
4-(5,5,6-Trimethylbicyclo[2.2.1]heptan-2-yl)cyclohexan-1-ol

Work with 4-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hydrogenated bisphenol A80-04-647 % similar 4-Isopropylcyclohexanol4621-04-939 % similar 4-tert-Butylcyclohexanol98-52-238 % similar [1,1′-Bicyclohexyl]-4,4′-diol20601-38-137 % similar 4-(1,1-Dimethylpropyl)cyclohexanol5349-51-934 % similar Hydrogenated bisphenol-A epoxy resin30583-72-334 % similar 4-Methylcyclohexanol589-91-333 % similar cis-4-Methylcyclohexanol7731-28-433 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(3R,3aS,6S,7R,8aS)-Octahydro-6-methoxy-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene19870-74-7 Isobornyl cyclohexanol3407-42-9 (-)-Ambrox6790-58-5 trans-4′-Butyl[1,1′-bicyclohexyl]-4-one92413-47-3

Elsewhere

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