Basic information
- CAS
10329-91-6- Standard SMILES
OC1CCCCCCCCCCCC1- InChIKey
IWOZRHJPQVIPNH-UHFFFAOYSA-N- Molecular formula
- C13H26O
- Average molar mass
- 198.34 g/mol
- Monoisotopic mass
- 198.19836545
Names & identifiers
- Preferred name
- Cyclotridecanol
- IUPAC
- cyclotridecanol
- English name
- Cyclotridecanol
- Molecular formula
- C13H26O
- Molecular weight
- 198.34
Names & synonyms
Cyclotridecanol10329-91-6SCHEMBL812590SCHEMBL812591SCHEMBL3030514DTXSID10611242IWOZRHJPQVIPNH-UHFFFAOYSA-N
Database identifiers
- CAS
10329-91-6- PubChem CID
- 21189154
- DTXSID
DTXSID10611242- Nikkaji
- J81.490C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 58.5 °C · 58.5 °C
- Boiling point
- 299.2 · 299.2±8.0 °C(Predicted)
- Density
- 0.871 · 0.871±0.06 g/cm3(Predicted)
- pka
- 15.58 · 15.58±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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