Valdice
Basic information
- CAS
93181-78-3- Standard SMILES
CCCC(CCC)C(=O)OC(C)OC(=O)OCC- InChIKey
ZIJGGSZJPPURSY-UHFFFAOYSA-N- Molecular formula
- C13H24O5
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.16237386
Names & identifiers
- Preferred name
- Valdice
- IUPAC
- 1-ethoxycarbonyloxyethyl 2-propylpentanoate
- English name
- VALDICE
- Molecular formula
- C13H24O5
- Molecular weight
- 260.33
Names & synonyms
Valdice93181-78-31-ethoxycarbonyloxyethyl 2-propylpentanoate1-[(ethoxycarbonyl)oxy]ethyl 2-propylpentanoateD9VW6400WJPentanoic acid, 2-propyl-, 1-((ethoxycarbonyl)oxy)ethyl ester1-((Ethoxycarbonyl)oxy)ethyl 2-propylpentanoate1-(Ethoxycarbonyloxy)ethyl valproatestarbld0001317UNII-D9VW6400WJSCHEMBL9623711DTXSID70918628
Show more names
Pentanoic acid, 2-propyl-, 1-[(ethoxycarbonyl)oxy]ethyl ester
AKOS040754320
Database identifiers
- CAS
93181-78-3- PubChem CID
- 185249
- DTXSID
DTXSID70918628- UNII
- D9VW6400WJ
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- FDA UNII
- 9 VW6400WJ · D9VW6400WJ
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Related reactions
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Compound notes
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