Heptacosane

C₂₇H₅₆CAS 593-49-7380.75 g/mol

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Properties

Molecular formula: C₂₇H₅₆
Molar mass: 380.75 g/mol
Exact mass: 380.4382 Da
Density: 0.773 g/mL (at 65 °C)
Melting point: 59.5 °C
Boiling point: 442 °C
logP: 10.78Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 24

Identifiers

CAS number

593-49-7

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCC

InChIKey

BJQWYEJQWHSSCJ-UHFFFAOYSA-N

InChI

InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3

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Names and synonyms

1 names

n-Heptacosane

Work with Heptacosane

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

Octane111-65-9100 % similar Nonane111-84-2100 % similar Dodecane112-40-3100 % similar Icosane112-95-8100 % similar Undecane1120-21-4100 % similar Decane124-18-5100 % similar Tetratriacontane14167-59-0100 % similar Heptane142-82-5100 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook