Basic information
- Standard SMILES
CC1(C)CCCC(=CC=O)C1- InChIKey
TYHKWUGMKWVPDI-UHFFFAOYSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
See also: Grandlure III (annotation moved to).
Names & identifiers
- Preferred name
- 2-(3,3-Dimethylcyclohexylidene)acetaldehyde
- IUPAC
- 2-(3,3-dimethylcyclohexylidene)acetaldehyde
Names & synonyms
2-(3,3-dimethylcyclohexylidene)acetaldehyde3,3-DIMETHYLCYCLOHEXYLIDENEACETALDEHYDE26532-24-1(E)-2-(3,3-Dimethylcyclohexylidene)acetaldehyde(Z)-2-(3,3-Dimethylcyclohexylidene)acetaldehyde41370-30-3(z)-(3,3-dimethyl)-cyclohexylideneacetaldehydeSCHEMBL1300988DTXSID60860369DB-240736(3,3-DIMETHYLCYCLOHEXYLIDENE)ACETALDEHYDE(E)-(3,3-Dimethyl)-cyclohexylideneacetaldehyde
Database identifiers
- PubChem CID
- 33529
- DTXSID
DTXSID60860369
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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