chempirical

1,13-Tridecanediol

C13H28O2CAS 13362-52-2216.36 g/mol

Open in Covalent MOL file
HOOH
Alcohol

Properties

Molecular formula
C13H28O2
Molar mass
216.36 g/mol
Exact mass
216.2089 Da
logP
3.26Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
12

Identifiers

CAS number
13362-52-2
SMILES
C(CCCCCCO)CCCCCCO
InChIKey
HCEPYODGJFPWOI-UHFFFAOYSA-N
InChI
InChI=1S/C13H28O2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h14-15H,1-13H2

Weigh it out

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

Work with 1,13-Tridecanediol

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 1,14-Tetradecanediol19812-64-7100 % similar 1,9-Nonanediol3937-56-2100 % similar 1,12-Dodecanediol5675-51-4100 % similar 1,7-Heptanediol629-30-1100 % similar 1,8-Octanediol629-41-4100 % similar 1,11-Undecanediol765-04-8100 % similar

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

Same formula

3,3-Bis(methoxymethyl)-2,6-dimethylheptane129228-11-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook