1,3-Dihydroxyadamantane

C₁₀H₁₆O₂CAS 5001-18-3168.24 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₁₀H₁₆O₂
Molar mass: 168.24 g/mol
Exact mass: 168.1150 Da
logP: 1.06Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

5001-18-3

SMILES

C1C2CC3(CC1CC(C2)(C3)O)O

InChIKey

MOLCWHCSXCKHAP-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2

Weigh it out

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

Names and synonyms

1 names

1,3-Adamantanediol

Work with 1,3-Dihydroxyadamantane

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

3-Amino-1-adamantanol702-82-968 % similar 1-Adamantanol768-95-667 % similar 3-(Hydroxymethyl)adamantan-1-ol38584-37-163 % similar 3-Hydroxyadamantane-1-carboxylic acid42711-75-154 % similar 2-(3-Hydroxyadamantan-1-yl)acetic acid17768-36-450 % similar 2-(3-Hydroxy-1-adamantyl)-2-oxoacetic acid709031-28-748 % similar 3-Hydroxy-1-adamantyl acrylate216581-76-943 % similar 1-Hydroxy-3,5-dimethyladamantane707-37-942 % similar

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

Same formula

Cyclohexyl methacrylate101-43-9 Ethyl 2-octynoate10519-20-7 Methyl 2-nonynoate111-80-8 Ethyl cyclohexylideneacetate1552-92-7 1-Methylcyclopentyl methacrylate178889-45-7 (1S,2S,5S)-2-Hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one1845-25-6 (1R,2R,5R)-(+)-2-Hydroxy-3-pinanone24047-72-1 2-Propenoic acid 1-ethylcyclopentyl ester326925-69-3

Elsewhere

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