Dihexyl succinate
Basic information
- CAS
15805-75-1- Standard SMILES
CCCCCCOC(=O)CCC(=O)OCCCCCC- InChIKey
XEYHWMQDXTVNJW-UHFFFAOYSA-N- Molecular formula
- C16H30O4
- Average molar mass
- 286.41 g/mol
- Monoisotopic mass
- 286.21440944
Names & identifiers
- Preferred name
- Dihexyl succinate
- IUPAC
- dihexyl butanedioate
- English name
- dihexyl succinate
- Molecular formula
- C16H30O4
- Molecular weight
- 286.41
Names & synonyms
Dihexyl succinate15805-75-1NSC-40623182ZY2KRX5MDTXSID80166355RefChem:1083579DTXCID4088846239-905-2dihexyl butanedioateSuccinic acid, dihexyl esterButanedioic acid, dihexyl esterEINECS 239-905-2
Show more names
Succinic acid dihexyl esterButanedioic acid dihexyl ester
NSC 406231AI3-02689SCHEMBL18995Butanedioic acid, 1,4-dihexyl esterNSC406231NS00025140
Database identifiers
- CAS
15805-75-1- PubChem CID
- 101308
- DTXSID
DTXSID80166355- UNII
- 82ZY2KRX5M
- EC Number
- 239-905-2
- Nikkaji
- J120.632J
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 326.6 · 326.6±10.0 °C(Predicted)
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- LogP
- 5.354 · 5.354 (est)
- FDA UNII
- 82 ZY2KRX5M · 82ZY2KRX5M
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Related reactions
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Compound notes
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