Basic information
- CAS
55517-89-0- Standard SMILES
CCCCCCCCCCCCC(CCCCCCCCCCC)CCCCCCCCCCCC- InChIKey
ZBOLLHDWYFHOST-UHFFFAOYSA-N- Molecular formula
- C36H74
- Average molar mass
- 507 g/mol
- Monoisotopic mass
- 506.57905236
Names & identifiers
- Preferred name
- Pentacosane, 13-undecyl-
- IUPAC
- 13-undecylpentacosane
- English name
- 13-Undecylpentacosane.
- Molecular formula
- C36H74
- Molecular weight
- 506.97
Names & synonyms
Pentacosane, 13-undecyl-13-n-Undecylpentacosane55517-89-0DTXSID70304547RefChem:171324DTXCID00255679ZBOLLHDWYFHOST-UHFFFAOYSA-N13-UndecylpentacosaneNSC16626213-Undecylpentacosane #SCHEMBL11042156SCHEMBL17182194
Show more names
13-Undecylpentacosane.
NSC-166262
Database identifiers
- CAS
55517-89-0- PubChem CID
- 296262
- DTXSID
DTXSID70304547- Nikkaji
- J123.058A
Properties
Computed structural properties
- XLogP
- 19.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 32
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 9.7 °C · 9.7°C
- Boiling point
- 493.9 °C · 493.9°C (estimate)
- Density
- 0.9068 · 0.9068 (estimate)
- refractive index
- 1.4567 · 1.4567
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…