2-Methyl-1-hepten-3-yne
Basic information
- CAS
17669-40-8- Standard SMILES
C=C(C)C#CCCC- InChIKey
UOOFRLPCQNNECP-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Names & identifiers
- Preferred name
- 2-Methyl-1-hepten-3-yne
- IUPAC
- 2-methylhept-1-en-3-yne
- English name
- 2-Methyl-1-hepten-3-yne
- Molecular formula
- C8H12
- Molecular weight
- 108.18
Names & synonyms
2-Methyl-1-hepten-3-yne17669-40-8n-C3H7C.$.CC(CH3)=CH22-Methyl-1-heptene-3-yne2-Methyl-hept-1-en-3-yne1-Hepten-3-yne, 2-methyl-DTXSID00170171RefChem:87991DTXCID5092662UOOFRLPCQNNECP-UHFFFAOYSA-N2-methylhept-1-en-3-ynen-C3H7C.equiv.CC(CH3)=CH2
Show more names
n-C3H7CequivCC(CH3)=CH2
AKOS006274822
Database identifiers
- CAS
17669-40-8- PubChem CID
- 140267
- DTXSID
DTXSID00170171
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 37 · 37-39°C 12mm
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Related reactions
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Compound notes
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