2-Methyl-2-adamantanol

C₁₁H₁₈OCAS 702-98-7166.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₈O
Molar mass: 166.26 g/mol
Exact mass: 166.1358 Da
Melting point: 214.7–216.5 °C
logP: 2.19Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

702-98-7

SMILES

CC1(O)C2CC3CC(C2)CC1C3

InChIKey

JKOZWMQUOWYZAB-UHFFFAOYSA-N

InChI

InChI=1S/C11H18O/c1-11(12)9-3-7-2-8(5-9)6-10(11)4-7/h7-10,12H,2-6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Tricyclo[3.3.1.13,7]decan-2-ol, 2-methyl-
2-Adamantanol, 2-methyl-
2-Methyltricyclo[3.3.1.13,7]decan-2-ol
2-Hydroxy-2-methyladamantane
NSC 193482

Work with 2-Methyl-2-adamantanol

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-Ethyl-2-adamantanol14648-57-846 % similar 2-Isopropyladamantan-2-ol38432-77-846 % similar 2,3,4-Trimethyl-3-pentanol3054-92-039 % similar (+)-Pinanediol18680-27-839 % similar Pinanediol22422-34-039 % similar Adamantane281-23-233 % similar 1-Adamantanol768-95-633 % similar 1,3-Dihydroxyadamantane5001-18-331 % similar

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

Same formula

Dihydrojasmone1128-08-1 2,4-Undecadienal30361-29-6 2-Heptylfuran3777-71-7 Beta-HOMOCYCLOCITRAL472-66-2 Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol770-71-8

Elsewhere

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