Basic information
- CAS
18482-28-5- Standard SMILES
CC(O)CC#CC(C)(C)O- InChIKey
GJZNBRCVPFRBHO-UHFFFAOYSA-N- Molecular formula
- C8H14O2
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.09937969
Names & identifiers
- Preferred name
- 3-Heptyne-2,6-diol, 2-methyl-
- IUPAC
- 2-methylhept-3-yne-2,6-diol
Names & synonyms
18482-28-53-HEPTYNE-2,6-DIOL, 2-METHYL-RefChem:10678932-Methyl-3-heptyne-2,6-diolBRN 19037572-methylhept-3-yne-2,6-diol2-methyl-3-heptyn-2,6-diol2-methyl-hept-3-yne-2,6-diolDTXSID30939899
Database identifiers
- CAS
18482-28-5- PubChem CID
- 29098
- DTXSID
DTXSID30939899
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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