4-(Cyclohexyloxy)-4-oxobutanoic acid
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Basic information
- CAS
10018-78-7- Standard SMILES
O=C(O)CCC(=O)OC1CCCCC1- InChIKey
CQBVVSONJDUVEJ-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Names & identifiers
- Preferred name
- 4-(Cyclohexyloxy)-4-oxobutanoic acid
- IUPAC
- 4-cyclohexyloxy-4-oxobutanoic acid
- English name
- CYCLOHEXYLSUCCINATE
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
4-(cyclohexyloxy)-4-oxobutanoic acid10018-78-7DTXSID40905242RefChem:1070071DTXCID30201326Butanedioic acid,1-cyclohexyl ester4-cyclohexyloxy-4-oxobutanoic acidcyclohexylsuccinateMFCD00785959Cyclohexanol succinate4-(cyclohexyloxy)-4-oxobutanoateSuccinic acid, monocyclohexyl ester
Show more names
RadioplexCYCLOHEXYLSUCCITEcyclohexyl hemisuccinate
BRN 2558695cyclo-hexyl hydrogen succinateSCHEMBL34725084-(cyclohexyloxy)-4-oxobutanoicacidSTL0649374-(cyclohexoxy)-4-oxo-butanoic acidAKOS0004984403-(cyclohexyloxycarbonyl)propanoic acid
Database identifiers
- CAS
10018-78-7- PubChem CID
- 120922
- DTXSID
DTXSID40905242
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 149 · 149-150 °C(Press: 2 Torr)
- Density
- 1.0359 g/cm3 · 1.0359 g/cm3
- pka
- 4.43 · 4.43±0.17(Predicted)
- LogP
- 2.414 · 2.414 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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