2-Nonanol, 2-ethynyl-
Basic information
- CAS
6289-16-3- Standard SMILES
C#CC(C)(O)CCCCCCC- InChIKey
XWEVMQJXCXXZPU-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 2-Nonanol, 2-ethynyl-
- IUPAC
- 3-methyldec-1-yn-3-ol
- English name
- 3-METHYL-DEC-1-YN-3-OL
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
3-methyldec-1-yn-3-ol2-Nonanol, 2-ethynyl-6289-16-31-Decyn-3-ol, 3-methyl-2-Ethynyl-2-nonanolNSC-56163-methyl-1-decyn-3-ol5EN8XKR92X3-Hydroxy-3-methyl-1-decyneNSC5616UNII-5EN8XKR92XSCHEMBL2026709
Show more names
3-METHYL-DEC-1-YN-3-OL
SCHEMBL28511757DTXSID60277993STL563381AKOS006240223
Database identifiers
- CAS
6289-16-3- PubChem CID
- 221256
- DTXSID
DTXSID60277993- UNII
- 5EN8XKR92X
- Nikkaji
- J1.644.468E
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Physicochemical properties
- Boiling point
- 200.2 · 200.2±8.0 °C(Predicted)
- Density
- 0.879 · 0.879±0.06 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.29(Predicted)
- FDA UNII
- 5 EN8XKR92X · 5EN8XKR92X
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Related reactions
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Compound notes
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