myo-1,2,3,4,5,6-Hexamethoxycarbonylcyclohexane
Basic information
- CAS
77117-51-2- Standard SMILES
COC(=O)C1C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)C1C(=O)OC- InChIKey
SMQNRPXTRPQGCL-UHFFFAOYSA-N- Molecular formula
- C18H24O12
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 432.1267762
Names & identifiers
- Preferred name
- myo-1,2,3,4,5,6-Hexamethoxycarbonylcyclohexane
- IUPAC
- hexamethyl cyclohexane-1,2,3,4,5,6-hexacarboxylate
Names & synonyms
myo-1,2,3,4,5,6-HexamethoxycarbonylcyclohexaneSCHEMBL2080386SCHEMBL20075282SMQNRPXTRPQGCL-UHFFFAOYSA-NDTXSID90113181177117-51-2Hexamethyl (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexacarboxylate1,2,3,4,5,6-Cyclohexanehexacarboxylic acid, hexamethyl ester, (1I+/-,2I+/-,3I+/-,4I+/-,5I+/-,6I+/-)-
Database identifiers
- CAS
77117-51-2- PubChem CID
- 613618
- DTXSID
DTXSID901131811
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 547
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Compound notes
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