2-Propenoic acid, 1,1a(2)-[methylenebis(4,1-cyclohexanediyliminocarbonyloxy-2,1-ethanediyl)] ester
Basic information
- CAS
73214-79-6- Standard SMILES
C=CC(=O)OCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCCOC(=O)C=C)CC2)CC1- InChIKey
ZWJHUDSVKDNODE-UHFFFAOYSA-N- Molecular formula
- C25H38N2O8
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.26281617
Names & identifiers
- Preferred name
- 2-Propenoic acid, 1,1a(2)-[methylenebis(4,1-cyclohexanediyliminocarbonyloxy-2,1-ethanediyl)] ester
- IUPAC
- 2-[[4-[[4-(2-prop-2-enoyloxyethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamoyloxy]ethyl prop-2-enoate
Names & synonyms
SCHEMBL11510008DTXSID7013874422-Propenoic acid, 1,1a(2)-[methylenebis(4,1-cyclohexanediyliminocarbonyloxy-2,1-ethanediyl)] ester73214-79-6
Database identifiers
- CAS
73214-79-6- PubChem CID
- 54569702
- DTXSID
DTXSID701387442- Nikkaji
- J2.516.012F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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