chempirical

Heptadecylbenzene

C23H40CAS 14752-75-1316.57 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C23H40
Molar mass
316.57 g/mol
Exact mass
316.3130 Da
Melting point
32 °C
Boiling point
397 °C
logP
8.10Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
16

Identifiers

CAS number
14752-75-1
SMILES
CCCCCCCCCCCCCCCCCc1ccccc1
InChIKey
ZMPPFNHWXMJARX-UHFFFAOYSA-N
InChI
InChI=1S/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, heptadecyl-
  • Heptadecane, 1-phenyl-
  • Heptadecylbenzol
  • n-Heptadecylbenzene
  • 1-Phenylheptadecane

Work with Heptadecylbenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Decylbenzene104-72-3100 % similar Hexylbenzene1077-16-3100 % similar Heptylbenzene1078-71-3100 % similar n-Nonylbenzene1081-77-2100 % similar Dodecylbenzene123-01-3100 % similar Tridecylbenzene123-02-4100 % similar Hexadecylbenzene1459-09-2100 % similar Tetradecylbenzene1459-10-5100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook