Basic information
- Standard SMILES
COC(=O)C1C=CC=C2C(C)(C)CCCC21C- InChIKey
UICHYBSCJFUJAB-UHFFFAOYSA-N- Molecular formula
- C15H22O2
- Average molar mass
- 234.33 g/mol
Names & identifiers
- Preferred name
- Methyl 5,5,8a-trimethyl-1,5,6,7,8,8a-hexahydro-naphthalene-carboxylate
- IUPAC
- methyl 5,5,8a-trimethyl-1,6,7,8-tetrahydronaphthalene-1-carboxylate
Names & synonyms
SCHEMBL10833958UICHYBSCJFUJAB-UHFFFAOYSA-Nmethyl 5,5,8a-trimethyl-1,5,6,7,8,8a-hexahydro-naphthalene-carboxylate
Database identifiers
- PubChem CID
- 20239095
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 390
Related reactions
1 records
Compound notes
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