3-[(1R,2R)-2-(3-hydroxyprop-1-ynyl)cyclobutyl]prop-2-yn-1-ol
Basic information
- CAS
80344-44-1- Standard SMILES
OCC#C[C@@H]1CC[C@H]1C#CCO- InChIKey
IXBZWFCGFRFHIK-NXEZZACHSA-N- Molecular formula
- C10H12O2
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.08372962
Names & identifiers
- Preferred name
- 3-[(1R,2R)-2-(3-hydroxyprop-1-ynyl)cyclobutyl]prop-2-yn-1-ol
- IUPAC
- 3-[(1R,2R)-2-(3-hydroxyprop-1-ynyl)cyclobutyl]prop-2-yn-1-ol
Names & synonyms
NSC35594380344-44-1DTXSID70320181NSC-3559433,3'-[(1R,2R)-Cyclobutane-1,2-diyl]di(prop-2-yn-1-ol)
Database identifiers
- CAS
80344-44-1- PubChem CID
- 337526
- DTXSID
DTXSID70320181
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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