2-Propanol, 1,3-dibutoxy-, acetate
Basic information
- CAS
63716-04-1- Standard SMILES
CCCCOCC(COCCCC)OC(C)=O- InChIKey
WAUDIBKITGHWMS-UHFFFAOYSA-N- Molecular formula
- C13H26O4
- Average molar mass
- 246.34 g/mol
- Monoisotopic mass
- 246.18310931
Names & identifiers
- Preferred name
- 2-Propanol, 1,3-dibutoxy-, acetate
- IUPAC
- 1,3-dibutoxypropan-2-yl acetate
- English name
- 1,3-Dibutoxy-2-propanol acetate
- Molecular formula
- C13H26O4
- Molecular weight
- 246.34
Names & synonyms
63716-04-12-Propanol, 1,3-dibutoxy-, acetateRefChem:10642261,3-Dibutoxy-2-propanol acetate1,3-dibutoxypropan-2-yl acetateBRN 17849921,3-Di-n-butyl ether, 2-acetate glycerolPropanetriol, 1,3-di-n-butyl diether, 2-acetate4-02-00-00252 (Beilstein Handbook Reference)SCHEMBL28606066DTXSID30980063DB-311453
Show more names
2-Propanol, 1,3-dibutoxy-, 2-acetate
Database identifiers
- CAS
63716-04-1- PubChem CID
- 113733
- DTXSID
DTXSID30980063- Nikkaji
- J90.535F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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