Basic information
- CAS
87887-12-5- Standard SMILES
CCCC(O)COC1C(C)CCCC1(C)C- InChIKey
MVJUTJROMROTCV-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- 1-[(2,2,6-Trimethylcyclohexyl)oxy]pentan-2-OL
- IUPAC
- 1-(2,2,6-trimethylcyclohexyl)oxypentan-2-ol
- English name
- 1-[(2,2,6-trimethylcyclohexyl)oxy]pentan-2-ol
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
87887-12-5EINECS 289-356-81-[(2,2,6-TRIMETHYLCYCLOHEXYL)OXY]PENTAN-2-OL1-((2,2,6-Trimethylcyclohexyl)oxy)pentan-2-olSCHEMBL5152307DTXSID801007833NS000649941-(2,6,6-Trimethyl-cyclohex-1-yloxy)-pentan-2-ol1-[(2,2,6-Trimethylcyclohexyl)oxy]-2-pentanol2-Pentanol, 1-[(2,2,6-trimethylcyclohexyl)oxy]-
Database identifiers
- CAS
87887-12-5- PubChem CID
- 3021165
- DTXSID
DTXSID801007833- EC Number
- 289-356-8
- Nikkaji
- J334.023F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 201
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
Loading…