Molecular properties
- Formula
- C30H50
- Molar mass
- 410.70 g·mol−1
- Exact mass
- 410.3913 Da
- 6
- 0
- 0
- 0.00 Ų
- 11.6 (PubChem computed XLogP3-AA descriptor)
- CAS
- 111-02-4
- PubChem CID
- 638072
Molecule record
squalene
C30H50
410.70 g/mol
Interactions
- Polarity
- Often weakly polar or nonpolar unless other structural features dominate.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alkene
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 11.6 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
- (All-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene
- (E)-Squalene
- (E,E,E,E)-Squalene
- 111-02-4
- 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (2E,6E,10E,14E,18E)-
- 2,6,10,14,18,22-Tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (all-E)-
- 2,6,10,14,18,22-tetracosahexaene, 2,6,10,15,19,23-hexamethyl-, (6E,10E,14E,18E)-
Show all 23 synonyms
- 2,6,10,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaene
- 203-826-1
- 7QWM220FJH
- All-trans-Squalene
- CHEBI:15440
- DTXCID8047921
- DTXSID4064767
- Nikko Squalane EX
- RefChem:6257
- Spinacen
- Spinacene
- Squalen
- Super Squalene
- Supraene
- trans-Squalene
Structure identifiers
- Canonical SMILES
- CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
- Isomeric SMILES
- CC(=CCC/C(=C/CC/C(=C/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)/C)/C)C
- InChI
- InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
- InChIKey
- YYGNTYWPHWGJRM-AAJYLUCBSA-N
- PubChem CID
- 638072
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
1645 cm−1C=C alkene (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for squalene; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for squalene; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.