Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol

C₁₁H₁₈OCAS 770-71-8166.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₈O
Molar mass: 166.26 g/mol
Exact mass: 166.1358 Da
Melting point: 115 °C
logP: 2.20Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

770-71-8

SMILES

OCC12CC3CC(CC(C3)C1)C2

InChIKey

MDVGOOIANLZFCP-UHFFFAOYSA-N

InChI

InChI=1S/C11H18O/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10,12H,1-7H2

Weigh it out

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

Names and synonyms

7 names

Tricyclo[3.3.1.13,7]decane-1-methanol
1-Adamantanemethanol
1-(Hydroxymethyl)adamantane
3-(Hydroxymethyl)adamantane
1-Adamantylmethanol
1-Adamantylcarbinol
(Adamantan-1-yl)methanol

Work with Tricyclo(3.3.1.1'3,7)dec-1-ylmethanol

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-(Tricyclo(3.3.1.1'3,7)dec-1-yl)ethanol6240-11-557 % similar 3-(Hydroxymethyl)adamantan-1-ol38584-37-156 % similar Pentaerythritol115-77-547 % similar Tricyclo(3.3.1.13,7)dec-1-ylmethylamine17768-41-145 % similar 1-Ethyladamantane770-69-445 % similar 1-Adamantanol768-95-643 % similar 1,1-Cyclopropanedimethanol39590-81-342 % similar 1-Adamantaneacetic acid4942-47-641 % 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 2-Methyl-2-adamantanol702-98-7

Elsewhere

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