Basic information
- CAS
5770-03-6- Standard SMILES
CCCCCCCC(O)CCCCC- InChIKey
HAIXKKLECRWLIX-UHFFFAOYSA-N- Molecular formula
- C13H28O
- Average molar mass
- 200.36 g/mol
- Monoisotopic mass
- 200.21401551
Overview
Tridecan-6-ol is a secondary alcohol that is tridecane substituted by a hydroxy group at position 6. It has a role as a plant metabolite. It is a tridecanol and a secondary alcohol.
Names & identifiers
- Preferred name
- 6-Tridecanol
- IUPAC
- tridecan-6-ol
- English name
- 6-Tridecanol
- Molecular formula
- C13H28O
- Molecular weight
- 200.36
Names & synonyms
6-TridecanolTridecan-6-ol5770-03-66-hydroxytridecane6-tridecyl alcoholNSC158508n-heptyl n-pentyl carbinolSCHEMBL111788SCHEMBL28619360DTXSID00880849CHEBI:195628EINECS 227-296-6
Show more names
6-TRIDECANOL 96%
AKOS009157792NSC 158508NSC-158508AI3-35269NS00047464
Database identifiers
- CAS
5770-03-6- PubChem CID
- 98973
- DTXSID
DTXSID00880849- ChEBI
CHEBI:195628- EC Number
- 227-296-6
- Nikkaji
- J112.118I
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 26.15 °C · 26.15°C (estimate)
- Boiling point
- 268.11 °C · 268.11°C (estimate)
- Density
- 0.7947 · 0.7947 (estimate)
- refractive index
- 1.4192 · 1.4192 (estimate)
- pka
- 15.47 · 15.47±0.20(Predicted)
Chemistry & industry
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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