3-Ethynylhept-1-en-3-ol
Basic information
- CAS
6929-27-7- Standard SMILES
C#CC(O)(C=C)CCCC- InChIKey
DGIMUSVUQUXGQX-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 3-Ethynylhept-1-en-3-ol
- IUPAC
- 3-ethynylhept-1-en-3-ol
Names & synonyms
3-ethynylhept-1-en-3-ol6929-27-7DTXSID10989014RefChem:1067824DTXCID7014161463-Ethynyl-1-hepten-3-olBRN 17490571-HEPTEN-3-OL, 3-ETHYNYL-
Database identifiers
- CAS
6929-27-7- PubChem CID
- 23357
- DTXSID
DTXSID10989014
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…