2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde

C11H18O — CID 143332052

IUPAC2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde
SMILESCC1CC=C(CC=O)CCC1C
InChIInChI=1S/C11H18O/c1-9-3-5-11(7-8-12)6-4-10(9)2/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyNJAXXRYCIOLUME-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.96
Rot. Bonds2

About 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde

2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde (PubChem CID 143332052) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde
PubChem CID143332052
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde
SMILESCC1CC=C(CC=O)CCC1C
InChIInChI=1S/C11H18O/c1-9-3-5-11(7-8-12)6-4-10(9)2/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyNJAXXRYCIOLUME-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde?
The IUPAC name of 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde (CID 143332052) is 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde.
What is the SMILES notation for 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde?
The canonical SMILES for 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde is CC1CC=C(CC=O)CCC1C.
What is the InChIKey of 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde?
The InChIKey is NJAXXRYCIOLUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-9-3-5-11(7-8-12)6-4-10(9)2/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde?
2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde has a molecular weight of 166.26 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylcyclohepten-1-yl)acetaldehyde is sourced from PubChem (CID 143332052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).