chempirical

1-Heptacosanol

C27H56OCAS 2004-39-9396.74 g/mol

Open in Covalent MOL file
OH
Alcohol

Properties

Molecular formula
C27H56O
Molar mass
396.74 g/mol
Exact mass
396.4331 Da
Melting point
81–83 °C
logP
9.75Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
25

Identifiers

CAS number
2004-39-9
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChIKey
ULCZGKYHRYJXAU-UHFFFAOYSA-N
InChI
InChI=1S/C27H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h28H,2-27H2,1H3

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Names and synonyms

3 names
  • Heptacosanol
  • n-Heptacosanol
  • NSC 53829

Work with 1-Heptacosanol

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 Wikipedia