1-Hexen-3-yne, 5,5-dimethyl-
Basic information
- CAS
4911-58-4- Standard SMILES
C=CC#CC(C)(C)C- InChIKey
MNOBHGLBCJQCCA-UHFFFAOYSA-N- Molecular formula
- C8H12
- Average molar mass
- 108.18 g/mol
- Monoisotopic mass
- 108.09390038
Names & identifiers
- Preferred name
- 1-Hexen-3-yne, 5,5-dimethyl-
- IUPAC
- 5,5-dimethylhex-1-en-3-yne
Names & synonyms
1-Hexen-3-yne, 5,5-dimethyl-4911-58-4DTXSID60340414RefChem:230750DTXCID40291495MNOBHGLBCJQCCA-UHFFFAOYSA-N5,5-dimethylhex-1-en-3-yne5,5-Dimethyl-1-hexen-3-yneSCHEMBL3693134SCHEMBL96184875,5-Dimethyl-1-hexen-3-yne #
Database identifiers
- CAS
4911-58-4- PubChem CID
- 564501
- DTXSID
DTXSID60340414- Nikkaji
- J1.624.762F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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