4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one

C15H26O — CID 46214404

IUPAC4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one
SMILESCCC1CC=CC(C(C)C)C1CCC(C)=O
InChIInChI=1S/C15H26O/c1-5-13-7-6-8-14(11(2)3)15(13)10-9-12(4)16/h6,8,11,13-15H,5,7,9-10H2,1-4H3
InChIKeyLTEWUZWJBJPLJO-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.23
Rot. Bonds5

About 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one

4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one (PubChem CID 46214404) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one
PubChem CID46214404
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one
SMILESCCC1CC=CC(C(C)C)C1CCC(C)=O
InChIInChI=1S/C15H26O/c1-5-13-7-6-8-14(11(2)3)15(13)10-9-12(4)16/h6,8,11,13-15H,5,7,9-10H2,1-4H3
InChIKeyLTEWUZWJBJPLJO-UHFFFAOYSA-N
XLogP4.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,6-diethylcyclohex-2-en-1-ol
CID 91278054
(1R,2R)-2-propan-2-ylcyclopent-3-en-1-ol
CID 58878675
4-[4-(2-methylpropyl)cyclohexyl]butan-2-one
CID 167520283
9-[(1S,2R)-2-(1-hydroxyoctyl)cyclopent-3-en-1-yl]nonanoic acid
CID 70636400
4-[(1R,2S)-2-methylcyclopropyl]butan-2-one
CID 45085231
4-(3,3-difluorocyclobutyl)butan-2-one
CID 130963893
methyl 6-ethyl-2-methylcyclohex-3-ene-1-carboxylate
CID 129216486
4-[(1R)-2,2-dimethylcyclopropyl]butan-2-one
CID 134971339
4-[6-methyl-4-(2-methylpropyl)cyclohex-3-en-1-yl]butan-2-one
CID 153373674
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
4-(3-oxobutyl)-3-propyloxolan-2-one
CID 86573717
4-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-2-one
CID 66790486

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one?
The IUPAC name of 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one (CID 46214404) is 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one.
What is the SMILES notation for 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one?
The canonical SMILES for 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one is CCC1CC=CC(C(C)C)C1CCC(C)=O.
What is the InChIKey of 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one?
The InChIKey is LTEWUZWJBJPLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-5-13-7-6-8-14(11(2)3)15(13)10-9-12(4)16/h6,8,11,13-15H,5,7,9-10H2,1-4H3.
What are the key properties of 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one?
4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one has a molecular weight of 222.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-2-propan-2-ylcyclohex-3-en-1-yl)butan-2-one is sourced from PubChem (CID 46214404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).