2-Isopropyladamantan-2-ol

C₁₃H₂₂OCAS 38432-77-8194.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₂₂O
Molar mass: 194.32 g/mol
Exact mass: 194.1671 Da
logP: 2.83Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

38432-77-8

SMILES

CC(C)C1(C2CC3CC(C2)CC1C3)O

InChIKey

ZYAFZSLKABJJJQ-UHFFFAOYSA-N

InChI

InChI=1S/C13H22O/c1-8(2)13(14)11-4-9-3-10(6-11)7-12(13)5-9/h8-12,14H,3-7H2,1-2H3

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Names and synonyms

1 names

2-Isopropyl-2-adamantanol

Work with 2-Isopropyladamantan-2-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-Methyl-2-adamantanol702-98-746 % similar 2-Ethyl-2-adamantanol14648-57-843 % similar 2,3,4-Trimethyl-3-pentanol3054-92-031 % similar 1-Adamantanol768-95-631 % similar Adamantane281-23-230 % similar

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

Same formula

Cyclohexyl ketone119-60-8 Dihydro-β-ionone17283-81-7 Theaspirane36431-72-8 Geranylacetone3796-70-1 6,10-Dimethyl-5,9-undecadien-2-one689-67-8

Elsewhere

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