Basic information
- CAS
3587-69-7- Standard SMILES
CCCCOCC(C)(C)O- InChIKey
JCALRHVFTLBTOZ-UHFFFAOYSA-N- Molecular formula
- C8H18O2
- Average molar mass
- 146.23 g/mol
- Monoisotopic mass
- 146.13067981
Names & identifiers
- Preferred name
- 1-Butoxy-2-methylpropan-2-ol
- IUPAC
- 1-butoxy-2-methylpropan-2-ol
- English name
- 1-butoxy-2-methylpropan-2-ol
- Molecular formula
- C8H18O2
- Molecular weight
- 146.22732
Names & synonyms
1-Butoxy-2-methylpropan-2-olEINECS 222-722-71-Butoxy-2-methyl-2-propanolRB5L5S4WMBDTXSID001894202-PROPANOL, 1-BUTOXY-2-METHYL-RefChem:75240DTXCID301119113587-69-7UNII-RB5L5S4WMBSCHEMBL406283SCHEMBL5434808
Show more names
JCALRHVFTLBTOZ-UHFFFAOYSA-NNS00029938
Database identifiers
- CAS
3587-69-7- PubChem CID
- 77138
- DTXSID
DTXSID00189420- UNII
- RB5L5S4WMB
- EC Number
- 222-722-7
- Nikkaji
- J216.225C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 79.3
Physicochemical properties
- FDA UNII
- 5 L5S4WMB · RB5L5S4WMB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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