5-ethyl-2,4-dimethylcyclohex-2-en-1-one

C10H16O — CID 70658813

IUPAC5-ethyl-2,4-dimethylcyclohex-2-en-1-one
SMILESCCC1CC(=O)C(C)=CC1C
InChIInChI=1S/C10H16O/c1-4-9-6-10(11)8(3)5-7(9)2/h5,7,9H,4,6H2,1-3H3
InChIKeyLPISVMWMHRLGAD-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About 5-ethyl-2,4-dimethylcyclohex-2-en-1-one

5-ethyl-2,4-dimethylcyclohex-2-en-1-one (PubChem CID 70658813) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-ethyl-2,4-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name5-ethyl-2,4-dimethylcyclohex-2-en-1-one
PubChem CID70658813
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name5-ethyl-2,4-dimethylcyclohex-2-en-1-one
SMILESCCC1CC(=O)C(C)=CC1C
InChIInChI=1S/C10H16O/c1-4-9-6-10(11)8(3)5-7(9)2/h5,7,9H,4,6H2,1-3H3
InChIKeyLPISVMWMHRLGAD-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,4-dimethylcyclohex-2-en-1-one?
The IUPAC name of 5-ethyl-2,4-dimethylcyclohex-2-en-1-one (CID 70658813) is 5-ethyl-2,4-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 5-ethyl-2,4-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 5-ethyl-2,4-dimethylcyclohex-2-en-1-one is CCC1CC(=O)C(C)=CC1C.
What is the InChIKey of 5-ethyl-2,4-dimethylcyclohex-2-en-1-one?
The InChIKey is LPISVMWMHRLGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-4-9-6-10(11)8(3)5-7(9)2/h5,7,9H,4,6H2,1-3H3.
What are the key properties of 5-ethyl-2,4-dimethylcyclohex-2-en-1-one?
5-ethyl-2,4-dimethylcyclohex-2-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,4-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 70658813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).