Basic information
- CAS
114340-46-4- Standard SMILES
CC(C)(C)OCCCCCCCCCO- InChIKey
IZXGQILPHIBIBK-UHFFFAOYSA-N- Molecular formula
- C13H28O2
- Average molar mass
- 216.36 g/mol
- Monoisotopic mass
- 216.20893014
Names & identifiers
- Preferred name
- 9-tert-Butoxynonan-1-ol
- IUPAC
- 9-[(2-methylpropan-2-yl)oxy]nonan-1-ol
Names & synonyms
9-tert-Butoxynonan-1-ol114340-46-4DTXSID00551628RefChem:313299DTXCID405024129-tert-butoxy-1-nonanolSCHEMBL8401052IZXGQILPHIBIBK-UHFFFAOYSA-N
Database identifiers
- CAS
114340-46-4- PubChem CID
- 13870109
- DTXSID
DTXSID00551628
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 127
Related reactions
2 records
Compound notes
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