1-Hydroxy-3,5-dimethyladamantane

C12H20OCAS 707-37-9180.29 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C12H20O
Molar mass
180.29 g/mol
Exact mass
180.1514 Da
Melting point
94 °C
logP
2.73Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
707-37-9
SMILES
CC12CC3CC(C)(C1)CC(O)(C3)C2
InChIKey
LBWCITVBZLTEKW-UHFFFAOYSA-N
InChI
InChI=1S/C12H20O/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9,13H,3-8H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • Tricyclo[3.3.1.13,7]decan-1-ol, 3,5-dimethyl-
  • 1-Adamantanol, 3,5-dimethyl-
  • 3,5-Dimethyltricyclo[3.3.1.13,7]decan-1-ol
  • 3,5-Dimethyl-1-adamantanol
  • 1,3-Dimethyl-5-hydroxyadamantane
  • 3,5-Dimethyl-1-hydroxyadamantane
  • 1,3-Dimethyl-5-adamantanol
  • NSC 102294
  • 5,7-Dimethyl-3-adamantanol

Work with 1-Hydroxy-3,5-dimethyladamantane

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

1,3,5-Trimethyladamantane707-35-767 % similar 1,3,5-Adamantanetriol99181-50-759 % similar Memantine19982-08-250 % similar 1-Chloro-3,5-dimethyladamantane707-36-850 % similar 1-Bromo-3,5-dimethyladamantane941-37-750 % similar 1,3-Dimethyladamantane702-79-448 % similar 3,5-Dimethyladamantane-1-carboxylic acid14670-94-145 % similar N-(3,5-Dimethyltricyclo(3.3.1.13,7)dec-1-yl)formamide351329-88-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethyl-2-adamantanol14648-57-8 (E,E)-2,4-Dodecadienal21662-16-8 2-(Tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol6240-11-5 2-Cyclohexylcyclohexanone90-42-6

Elsewhere

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