chempirical

1,3-Nonanediol acetate

C11H22O3CAS 1322-17-4202.29 g/mol

Open in Covalent MOL file
OOOH
AlcoholEster

Properties

Molecular formula
C11H22O3
Molar mass
202.29 g/mol
Exact mass
202.1569 Da
logP
2.27Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Identifiers

CAS number
1322-17-4
SMILES
CCCCCCC(CCOC(=O)C)O
InChIKey
RTYFAKSWXDNPPU-UHFFFAOYSA-N
InChI
InChI=1S/C11H22O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h11,13H,3-9H2,1-2H3

Weigh it out

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

Names and synonyms

2 names
  • 1,3-Nonanediol, monoacetate
  • 3-Hydroxynonyl acetate

Work with 1,3-Nonanediol acetate

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

Heptyl acetate112-06-162 % similar Octyl acetate112-14-162 % similar Decyl acetate112-17-462 % similar Dodecyl acetate112-66-362 % similar Hexyl acetate142-92-762 % similar Nonyl acetate143-13-562 % similar Octadecyl acetate822-23-162 % similar Amyl acetate628-63-759 % similar

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

Same formula

11-Hydroxyundecanoic acid3669-80-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook