1-Adamantanol

C₁₀H₁₆OCAS 768-95-6152.24 g/mol

Open in Covalent MOL file

Alcohol

Properties

Molecular formula: C₁₀H₁₆O
Molar mass: 152.24 g/mol
Exact mass: 152.1201 Da
Melting point: 282 °C
logP: 1.95Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H228 Flammable solid33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P240, P241, 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, P370+P378, P403+P233, P405, P501

Identifiers

CAS number

768-95-6

SMILES

OC12CC3CC(CC(C3)C1)C2

InChIKey

VLLNJDMHDJRNFK-UHFFFAOYSA-N

InChI

InChI=1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2

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-1-ol
1-Hydroxyadamantane
1-Adamantyl alcohol
NSC 108837
NSC 91633

Reactions

Tertiary alcohols from hydrocarbons by ozonation on silica gel: 1-adamantanol (Tricyclo[3.3.1.13,7]decan-1-ol)product

Work with 1-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

1,3-Dihydroxyadamantane5001-18-367 % similar 1,3,5-Adamantanetriol99181-50-756 % similar 5-Hydroxy-2-adamantanone20098-14-054 % similar 3-Amino-1-adamantanol702-82-952 % similar trans-4-Aminoadamantan-1-ol hydrochloride62075-23-450 % similar 3-(Hydroxymethyl)adamantan-1-ol38584-37-148 % similar Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol770-71-843 % similar 3-Hydroxyadamantane-1-carboxylic acid42711-75-141 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Pinene oxide1686-14-2 (-)-Perillyl alcohol18457-55-1 (-)-Myrtenol19894-97-4 (-)-cis-Carveol2102-59-2 (±)-Camphor21368-68-3 (1S,4R)-1-Methyl-4-(1-methylethenyl)-2-cyclohexen-1-ol22972-51-6 2,4-Decadienal2363-88-4 (E,E)-2,4-Decadienal25152-84-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook