1-(2-Hydroxy-1-methyl-ethyl)-7A-methyl-octahydro-inden-4-ol

C₁₃H₂₄O₂CAS 64190-52-9212.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₄O₂
Molar mass: 212.33 g/mol
Exact mass: 212.1776 Da
logP: 2.19Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

64190-52-9

SMILES

C[C@H](CO)C1CCC2[C@@]1(CCCC2O)C

InChIKey

FUBPRYXDIHQLGH-REWWACNHSA-N

InChI

InChI=1S/C13H24O2/c1-9(8-14)10-5-6-11-12(15)4-3-7-13(10,11)2/h9-12,14-15H,3-8H2,1-2H3/t9-,10?,11?,12?,13-/m1/s1

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Names and synonyms

1 names

(7aR)-1-[(2S)-1-hydroxypropan-2-yl]-7a-methyl-octahydro-1H-inden-4-ol

Work with 1-(2-Hydroxy-1-methyl-ethyl)-7A-methyl-octahydro-inden-4-ol

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

2-tert-Butylcyclohexanol13491-79-738 % similar 2-Methylcyclohexanol583-59-537 % similar cis-2-Methylcyclohexanol7443-70-137 % similar 5α-Cholestane481-21-035 % similar Cholestanol80-97-735 % similar Hyodeoxycholic acid83-49-835 % similar Ursodeoxycholic acid128-13-234 % similar Chenodeoxycholic acid474-25-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Citronellyl propionate141-14-0 Decyl acrylate2156-96-9 2-Decyl acrylic Acid52756-21-5 Ethyl 10-undecenoate692-86-4 3,7-Diethylnonane-4,6-dione872802-98-7

Elsewhere

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