3-Methyl-4-hexyn-3-ol
Basic information
- CAS
6320-68-9- Standard SMILES
CC#CC(C)(O)CC- InChIKey
VLRDHNINMBNPDK-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- 3-Methyl-4-hexyn-3-ol
- IUPAC
- 3-methylhex-4-yn-3-ol
Names & synonyms
3-Methyl-4-hexyn-3-ol6320-68-9DTXSID90334846RefChem:280892DTXCID40285935VLRDHNINMBNPDK-UHFFFAOYSA-N3-methylhex-4-yn-3-olSCHEMBL8651161NSC31408NSC-31408AKOS006274315
Database identifiers
- CAS
6320-68-9- PubChem CID
- 522086
- DTXSID
DTXSID90334846
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 126
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…