1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-
Basic information
- CAS
106622-48-4- Standard SMILES
COC(=O)C1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)OC- InChIKey
SJTWNHSOWFJZMH-AHIWAGSCSA-N- Molecular formula
- C17H26O4
- Average molar mass
- 294.4 g/mol
- Monoisotopic mass
- 294.18310931
Names & identifiers
- Preferred name
- 1,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-
- IUPAC
- dimethyl (1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-1,2-dicarboxylate
Names & synonyms
106622-48-41,2-Naphthalenedicarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-5,5,8a-trimethyl-, dimethyl ester,(1R,4aS,8aS)-DTXSID70910061Dimethyl 5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylatedimethyl (1R,4aS,8aS)-5,5,8a-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalene-1,2-dicarboxylate
Database identifiers
- CAS
106622-48-4- PubChem CID
- 184686
- DTXSID
DTXSID70910061
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 477
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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