4-ethyl-2-hydroxycyclohex-3-en-1-one

C8H12O2 — CID 173450667

IUPAC4-ethyl-2-hydroxycyclohex-3-en-1-one
SMILESCCC1=CC(O)C(=O)CC1
InChIInChI=1S/C8H12O2/c1-2-6-3-4-7(9)8(10)5-6/h5,8,10H,2-4H2,1H3
InChIKeyKPUMGOUZRJBNIY-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.05
Rot. Bonds1

About 4-ethyl-2-hydroxycyclohex-3-en-1-one

4-ethyl-2-hydroxycyclohex-3-en-1-one (PubChem CID 173450667) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-ethyl-2-hydroxycyclohex-3-en-1-one.

Molecular Properties

Compound Name4-ethyl-2-hydroxycyclohex-3-en-1-one
PubChem CID173450667
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-ethyl-2-hydroxycyclohex-3-en-1-one
SMILESCCC1=CC(O)C(=O)CC1
InChIInChI=1S/C8H12O2/c1-2-6-3-4-7(9)8(10)5-6/h5,8,10H,2-4H2,1H3
InChIKeyKPUMGOUZRJBNIY-UHFFFAOYSA-N
XLogP1.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-3-ethylcyclohex-2-en-1-ol
CID 11252010
(1R,5S)-3-ethylbicyclo[3.2.0]hept-3-en-6-one
CID 71582576
2-butanoylcyclopentane-1,3-dione
CID 18504539
1-ethyl-3-methylcyclopentene;methane
CID 161172623
2,4-dihydroxycyclopent-3-en-1-one
CID 70552067
(4S)-2-ethyl-4-hydroxycyclopent-2-en-1-one
CID 58922282
2-[(4-ethylphenyl)methyl]-4-hydroxycyclohex-3-en-1-one
CID 175942610
(4aS,6S,7R,8aS)-6,7-dihydroxy-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 10899593
4-ethylcyclohept-4-en-1-ol
CID 91248239
2-(3-ethylcyclohex-2-en-1-yl)acetaldehyde
CID 59679582
(2R)-4-ethyl-2-hydroxy-2H-furan-5-one
CID 124583750
3-butylcyclopent-2-en-1-ol
CID 65174589

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-hydroxycyclohex-3-en-1-one?
The IUPAC name of 4-ethyl-2-hydroxycyclohex-3-en-1-one (CID 173450667) is 4-ethyl-2-hydroxycyclohex-3-en-1-one.
What is the SMILES notation for 4-ethyl-2-hydroxycyclohex-3-en-1-one?
The canonical SMILES for 4-ethyl-2-hydroxycyclohex-3-en-1-one is CCC1=CC(O)C(=O)CC1.
What is the InChIKey of 4-ethyl-2-hydroxycyclohex-3-en-1-one?
The InChIKey is KPUMGOUZRJBNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-6-3-4-7(9)8(10)5-6/h5,8,10H,2-4H2,1H3.
What are the key properties of 4-ethyl-2-hydroxycyclohex-3-en-1-one?
4-ethyl-2-hydroxycyclohex-3-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-hydroxycyclohex-3-en-1-one is sourced from PubChem (CID 173450667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).