chempirical

1-Heneicosanol

C21H44OCAS 15594-90-8312.58 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C21H44O
Molar mass
312.58 g/mol
Exact mass
312.3392 Da
logP
7.41Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
19

Identifiers

CAS number
15594-90-8
SMILES
CCCCCCCCCCCCCCCCCCCCCO
InChIKey
FIPPFBHCBUDBRR-UHFFFAOYSA-N
InChI
InChI=1S/C21H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22/h22H,2-21H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Heneicosyl alcohol

Work with 1-Heneicosanol

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-Hexanol111-27-3100 % similar 1-Heptanol111-70-6100 % similar 1-Octanol111-87-5100 % similar 1-Decanol112-30-1100 % similar Undecanol112-42-5100 % similar Dodecanol112-53-8100 % similar 1-Tridecanol112-70-9100 % similar 1-Tetradecanol112-72-1100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook