Basic information
- CAS
13006-29-6- Standard SMILES
CCCCCCCCCC(O)CO- InChIKey
BUMVVNKGNPPUME-UHFFFAOYSA-N- Molecular formula
- C11H24O2
- Average molar mass
- 188.31 g/mol
- Monoisotopic mass
- 188.17763001
Names & identifiers
- Preferred name
- Undecane-1,2-diol
- IUPAC
- undecane-1,2-diol
- English name
- undecane-1,2-diol
- Molecular formula
- C11H24O2
- Molecular weight
- 188.31
Names & synonyms
Undecane-1,2-diol1,2-Undecanediol13006-29-61,2 undecanediolNSC71469EINECS 235-848-2AI3-13218SCHEMBL160018SCHEMBL7738862SCHEMBL8106179SCHEMBL29090021DTXSID201316680
Show more names
1,2-Undecylene glycol
NSC 71469NSC-71469STK367480AKOS005443995NS00051841ST50899837
Database identifiers
- CAS
13006-29-6- PubChem CID
- 98035
- DTXSID
DTXSID201316680- EC Number
- 235-848-2
- Nikkaji
- J317.765C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 94.1
Physicochemical properties
- Melting point
- 50.5 · 50.5-52.5℃
- Boiling point
- 271.93 °C · 271.93°C (rough estimate)
- Density
- 0.9314 · 0.9314 (rough estimate)
- refractive index
- 1.4589 · 1.4589 (estimate)
- pka
- 14.46 · 14.46±0.20(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
3 records
Compound notes
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