1,18-Octadecanediol

C₁₈H₃₈O₂CAS 3155-43-9286.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₃₈O₂
Molar mass: 286.50 g/mol
Exact mass: 286.2872 Da
logP: 5.21Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 17

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3155-43-9

SMILES

C(CCCCCCCCCO)CCCCCCCCO

InChIKey

LUUFSCNUZAYHAT-UHFFFAOYSA-N

InChI

InChI=1S/C18H38O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h19-20H,1-18H2

Weigh it out

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

Work with 1,18-Octadecanediol

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

1,5-Pentanediol111-29-5100 % similar 1,10-Decanediol112-47-0100 % similar 1,13-Tridecanediol13362-52-2100 % similar 1,14-Tetradecanediol19812-64-7100 % similar 1,9-Nonanediol3937-56-2100 % similar 1,12-Dodecanediol5675-51-4100 % similar 1,6-Hexanediol629-11-8100 % similar 1,7-Heptanediol629-30-1100 % similar

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

Same formula

Cetomacrogol 10009004-95-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook