Basic information
- CAS
1845-44-9- Standard SMILES
CC1CCC(C(C)C)C(C=O)C1- InChIKey
AUABNXZOGNPUSY-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Names & identifiers
- Preferred name
- 2-(Isopropyl)-5-methylcyclohexanecarbaldehyde
- IUPAC
- 5-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde
- English name
- 2-(isopropyl)-5-methylcyclohexanecarbaldehyde
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
1845-44-92-(Isopropyl)-5-methylcyclohexanecarbaldehydep-menthane-3-carboxaldehydeEINECS 217-424-95-methyl-2-propan-2-ylcyclohexane-1-carbaldehyde2-isopropyl-5-methyl-cyclohexanecarbaldehyde5-methyl-2-(propan-2-yl)cyclohexane-1-carbaldehydeSCHEMBL1603520SCHEMBL1603521DTXSID40939840AUABNXZOGNPUSY-UHFFFAOYSA-NAKOS015258372
Show more names
2-Isopropyl-5-methylcyclohexane-1-carbaldehyde5-Methyl-2-(1-methylethyl)cyclohexanecarbaldehydeCyclohexanecarboxaldehyde, 5-methyl-2-(1-methylethyl)-
NS00045763
Database identifiers
- CAS
1845-44-9- PubChem CID
- 102702
- DTXSID
DTXSID40939840- EC Number
- 217-424-9
- Nikkaji
- J199.658D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 222.6 · 222.6±9.0 °C(Predicted)
- Density
- 0.908 · 0.908±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
2 records
Compound notes
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