Basic information
- CAS
68109-99-9- Standard SMILES
CC(C)COC(=O)/C=C\C(=O)OC1CCCCC1- InChIKey
CNKATKALHSIDQP-HJWRWDBZSA-N- Molecular formula
- C14H22O4
- Average molar mass
- 254.32 g/mol
- Monoisotopic mass
- 254.15180918
Names & identifiers
- Preferred name
- 2-Butenedioic acid (2Z)-, 1-cyclohexyl 4-(2-methylpropyl) ester
- IUPAC
- 4-O-cyclohexyl 1-O-(2-methylpropyl) (Z)-but-2-enedioate
Names & synonyms
Cyclohexyl isobutyl maleateEINECS 268-507-12-Butenedioic acid (2Z)-, 1-cyclohexyl 4-(2-methylpropyl) esterRefChem:46768768109-99-9Cyclohexyl 2-methylpropyl maleateCNKATKALHSIDQP-HJWRWDBZSA-NNS00036412
Database identifiers
- CAS
68109-99-9- PubChem CID
- 6437232
- EC Number
- 268-507-1
- Nikkaji
- J317.327E
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenedioic acid (2Z)-, 1-cyclohexyl 4-(2-methylpropyl) ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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