Cyclododecanol

C₁₂H₂₄OCAS 1724-39-6184.32 g/mol

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Properties

Molecular formula: C₁₂H₂₄O
Molar mass: 184.32 g/mol
Exact mass: 184.1827 Da
Melting point: 76–79 °C
Boiling point: 128–130 °C (at 20 Torr)
logP: 3.65Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 165 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

1724-39-6

SMILES

OC1CCCCCCCCCCC1

InChIKey

SFVWPXMPRCIVOK-UHFFFAOYSA-N

InChI

InChI=1S/C12H24O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h12-13H,1-11H2

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Names and synonyms

1 names

NSC 524960

Work with Cyclododecanol

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

Cyclohexanol108-93-0100 % similar Cycloheptanol502-41-0100 % similar Cyclooctanol696-71-9100 % similar Cyclopentanol96-41-392 % similar Cyclobutanol2919-23-577 % similar Cyclopropanol16545-68-962 % similar 1,4-Cyclohexanediol556-48-962 % similar trans-1,4-Cyclohexanediol6995-79-562 % similar

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

Same formula

2-Methylundecanal110-41-8 Dodecanal112-54-9 2,6,8-Trimethyl-4-nonanone123-18-2 Dodecan-3-one1534-27-6 5-Dodecanone19780-10-0 1,2-Epoxydodecane2855-19-8 2-Dodecanone6175-49-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook