3-Methylhex-3-en-1-yne
Basic information
- CAS
62839-54-7- Standard SMILES
C#CC(C)=CCC- InChIKey
KYOGSVAQRNIVQL-UHFFFAOYSA-N- Molecular formula
- C7H10
- Average molar mass
- 94.15 g/mol
- Monoisotopic mass
- 94.07825032
Names & identifiers
- Preferred name
- 3-Methylhex-3-en-1-yne
- IUPAC
- 3-methylhex-3-en-1-yne
Names & synonyms
3-Methylhex-3-en-1-yne62839-54-7DTXSID50708443RefChem:1068308DTXCID806591913-methyl-3-hexen-1-yneSCHEMBL1906994
Database identifiers
- CAS
62839-54-7- PubChem CID
- 54020451
- DTXSID
DTXSID50708443
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 109
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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