1,2-diethylcyclohexane-1-carbaldehyde

C11H20O — CID 138734421

IUPAC1,2-diethylcyclohexane-1-carbaldehyde
SMILESCCC1CCCCC1(C=O)CC
InChIInChI=1S/C11H20O/c1-3-10-7-5-6-8-11(10,4-2)9-12/h9-10H,3-8H2,1-2H3
InChIKeyZESRHQPJPMWLCQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds3

About 1,2-diethylcyclohexane-1-carbaldehyde

1,2-diethylcyclohexane-1-carbaldehyde (PubChem CID 138734421) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,2-diethylcyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1,2-diethylcyclohexane-1-carbaldehyde
PubChem CID138734421
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1,2-diethylcyclohexane-1-carbaldehyde
SMILESCCC1CCCCC1(C=O)CC
InChIInChI=1S/C11H20O/c1-3-10-7-5-6-8-11(10,4-2)9-12/h9-10H,3-8H2,1-2H3
InChIKeyZESRHQPJPMWLCQ-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethylcyclohexane-1-carbaldehyde?
The IUPAC name of 1,2-diethylcyclohexane-1-carbaldehyde (CID 138734421) is 1,2-diethylcyclohexane-1-carbaldehyde.
What is the SMILES notation for 1,2-diethylcyclohexane-1-carbaldehyde?
The canonical SMILES for 1,2-diethylcyclohexane-1-carbaldehyde is CCC1CCCCC1(C=O)CC.
What is the InChIKey of 1,2-diethylcyclohexane-1-carbaldehyde?
The InChIKey is ZESRHQPJPMWLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-3-10-7-5-6-8-11(10,4-2)9-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,2-diethylcyclohexane-1-carbaldehyde?
1,2-diethylcyclohexane-1-carbaldehyde has a molecular weight of 168.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethylcyclohexane-1-carbaldehyde is sourced from PubChem (CID 138734421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).