Basic information
- CAS
1845-38-1- Standard SMILES
CC1CC(C=O)CC(C)(C)C1- InChIKey
XOKRGEQPFOCUDY-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 3,3,5-Trimethylcyclohexane-1-carbaldehyde
- IUPAC
- 3,3,5-trimethylcyclohexane-1-carbaldehyde
Names & synonyms
3,3,5-trimethylcyclohexane-1-carbaldehyde1845-38-1DTXSID30939839RefChem:1065576DTXCID3013683273,3,5-Trimethylcyclohexanecarboxaldehyde3,5,5-Trimethylcyklohexankarbaldehyd [Czech]Cyclohexanecarboxaldehyde, 3,3,5-trimethyl-3,5,5-TrimethylcyklohexankarbaldehydSCHEMBL4343812SCHEMBL9408823AKOS015258384
Database identifiers
- CAS
1845-38-1- PubChem CID
- 102701
- DTXSID
DTXSID30939839- Nikkaji
- J34.003K
Properties
Computed structural properties
- XLogP
- 2.7
- 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
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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