Basic information
- CAS
42154-69-8- Standard SMILES
CCC=CC(C)C- InChIKey
IQANHWBWTVLDTP-UHFFFAOYSA-N- Molecular formula
- C7H14
- Average molar mass
- 98.19 g/mol
- Monoisotopic mass
- 98.10955045
Names & identifiers
- Preferred name
- 2-Methyl-3-hexene
- IUPAC
- 2-methylhex-3-ene
Names & synonyms
42154-69-8DTXSID708710222-METHYL-3-HEXENERefChem:1063713DTXCID008184452-methylhex-3-eneSCHEMBL107864SCHEMBL1191476SCHEMBL2120089SCHEMBL3227112SCHEMBL3911882SCHEMBL5332956
Show more names
SCHEMBL6119691SCHEMBL6119693SCHEMBL7288196SCHEMBL8872890SCHEMBL17219745SCHEMBL17219747SCHEMBL17219829
Database identifiers
- CAS
42154-69-8- PubChem CID
- 39145
- DTXSID
DTXSID70871022
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 51.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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