Undecane-1,11-diol

C₁₁H₂₄O₂CAS 765-04-8188.31 g/mol

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Properties

Molecular formula: C₁₁H₂₄O₂
Molar mass: 188.31 g/mol
Exact mass: 188.1776 Da
Melting point: 102–103 °C
logP: 2.48Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 10

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

765-04-8

SMILES

OCCCCCCCCCCCO

InChIKey

XSMIOONHPKRREI-UHFFFAOYSA-N

InChI

InChI=1S/C11H24O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2

Weigh it out

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Names and synonyms

4 names

1,11-Undecanediol
1,11-Hendecanediol
NSC 4030
1,11-Dihydroxyundecane

Work with Undecane-1,11-diol

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 1,18-Octadecanediol3155-43-9100 % similar 1,9-Nonanediol3937-56-2100 % similar 1,12-Dodecanediol5675-51-4100 % similar 1,6-Hexanediol629-11-8100 % similar

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

Same formula

2,2-Dibutoxypropane141-72-0 2-Methyldecane-2,5-diol53731-34-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook