2,6-diethylcyclohexan-1-one

C10H18O — CID 543469

IUPAC2,6-diethylcyclohexan-1-one
SMILESCCC1CCCC(CC)C1=O
InChIInChI=1S/C10H18O/c1-3-8-6-5-7-9(4-2)10(8)11/h8-9H,3-7H2,1-2H3
InChIKeyCATGMLRVPMQRJQ-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds2

About 2,6-diethylcyclohexan-1-one

2,6-diethylcyclohexan-1-one (PubChem CID 543469) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2,6-diethylcyclohexan-1-one.

Molecular Properties

Compound Name2,6-diethylcyclohexan-1-one
PubChem CID543469
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2,6-diethylcyclohexan-1-one
SMILESCCC1CCCC(CC)C1=O
InChIInChI=1S/C10H18O/c1-3-8-6-5-7-9(4-2)10(8)11/h8-9H,3-7H2,1-2H3
InChIKeyCATGMLRVPMQRJQ-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,6-diethylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-diethylcyclohexan-1-one?
The IUPAC name of 2,6-diethylcyclohexan-1-one (CID 543469) is 2,6-diethylcyclohexan-1-one.
What is the SMILES notation for 2,6-diethylcyclohexan-1-one?
The canonical SMILES for 2,6-diethylcyclohexan-1-one is CCC1CCCC(CC)C1=O.
What is the InChIKey of 2,6-diethylcyclohexan-1-one?
The InChIKey is CATGMLRVPMQRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-8-6-5-7-9(4-2)10(8)11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,6-diethylcyclohexan-1-one?
2,6-diethylcyclohexan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylcyclohexan-1-one is sourced from PubChem (CID 543469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).