Basic information
- CAS
30915-82-3- Standard SMILES
CCCC(OC(C)=O)OC(C)=O- InChIKey
KYCXTUXIIANKNP-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Butanediol, diacetate
- IUPAC
- 1-acetyloxybutyl acetate
Names & synonyms
30915-82-3Butanediol, diacetatebutanediol diacetateButane-1,1-diyl diacetateSCHEMBL190306SCHEMBL27640082DTXSID40953081
Database identifiers
- CAS
30915-82-3- PubChem CID
- 182019
- DTXSID
DTXSID40953081- Nikkaji
- J830.067D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Related reactions
6 records
Compound notes
Loading…