Molecular properties
- Formula
- C10H16
- Molar mass
- 136.23 g·mol−1
- Exact mass
- 136.1252 Da
- 3
- 0
- 0
- 0.00 Ų
- 4.3 (PubChem computed XLogP3-AA descriptor)
- CAS
- 123-35-3
- PubChem CID
- 31253
Molecule record
MYRCENE
C10H16
136.23 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 | 4.3 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- .beta.-Geraniolene
- .beta.-Myrcene
- 1,6-Octadiene, 7-methyl-3-methylene-
- 123-35-3
- 2-Methyl-6-methylene-2,7-octadiene
- 2-methyl-6-methylene-1,7-octadiene
- 204-622-5
- 3-Methylene-7-methyl-1,6-octadiene
Show all 22 synonyms
- 3M39CZS25B
- 7-Methyl-3-methylene-1,6-octadiene
- 7-Methyl-3-methyleneocta-1,6-diene
- 7-methyl-3-methylideneocta-1,6-diene
- CHEBI:17221
- DTXCID205692
- DTXSID6025692
- FEMA No. 2762
- MFCD00008908
- NSC-406264
- RefChem:6044
- b-Myrcene
- beta-Myrcene
- beta-geraniolene
Structure identifiers
- Canonical SMILES
- CC(=CCCC(=C)C=C)C
- Isomeric SMILES
- CC(=CCCC(=C)C=C)C
- InChI
- InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
- InChIKey
- UAHWPYUMFXYFJY-UHFFFAOYSA-N
- PubChem CID
- 31253
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 MYRCENE; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for MYRCENE; 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.