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

C8H12O2 — CID 91579144

IUPAC5-ethyl-4-hydroxycyclohex-2-en-1-one
SMILESCCC1CC(=O)C=CC1O
InChIInChI=1S/C8H12O2/c1-2-6-5-7(9)3-4-8(6)10/h3-4,6,8,10H,2,5H2,1H3
InChIKeyCFMQFCWZFSRDDK-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.90
Rot. Bonds1

About 5-ethyl-4-hydroxycyclohex-2-en-1-one

5-ethyl-4-hydroxycyclohex-2-en-1-one (PubChem CID 91579144) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-ethyl-4-hydroxycyclohex-2-en-1-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxycyclohex-2-en-1-one
PubChem CID91579144
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-ethyl-4-hydroxycyclohex-2-en-1-one
SMILESCCC1CC(=O)C=CC1O
InChIInChI=1S/C8H12O2/c1-2-6-5-7(9)3-4-8(6)10/h3-4,6,8,10H,2,5H2,1H3
InChIKeyCFMQFCWZFSRDDK-UHFFFAOYSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxy-3,5,5-Trimethylcyclohex-2-Enone
CID 566734
trans-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429209
Comosone A
CID 52952530
cis-5-Hydroxy-p-menth-1(6)-en-2-one
CID 6429208
5-Hydroxy-p-menth-6-en-2-one
CID 14106048
Ampelomin A
CID 25243398
2-Cyclohexen-1-one, 4-hydroxy-2-methyl-5-(1-methylethyl)-, (4R,5S)-rel-
CID 44234541
4-Hydroxy-2-cyclohexenone
CID 558502
(4R,5R)-4-hydroxy-2-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 15939501
rac-methyl (1R,5R)-5-hydroxycyclohex-3-ene-1-carboxylate
CID 10630745
5-Hydroxy-p-mentha-6,8-dien-2-one
CID 14379178
2-Cyclohexen-1-one, 4-hydroxy-3-methyl-6-(1-methylethyl)-, trans-
CID 22215384

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxycyclohex-2-en-1-one?
The IUPAC name of 5-ethyl-4-hydroxycyclohex-2-en-1-one (CID 91579144) is 5-ethyl-4-hydroxycyclohex-2-en-1-one.
What is the SMILES notation for 5-ethyl-4-hydroxycyclohex-2-en-1-one?
The canonical SMILES for 5-ethyl-4-hydroxycyclohex-2-en-1-one is CCC1CC(=O)C=CC1O.
What is the InChIKey of 5-ethyl-4-hydroxycyclohex-2-en-1-one?
The InChIKey is CFMQFCWZFSRDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-6-5-7(9)3-4-8(6)10/h3-4,6,8,10H,2,5H2,1H3.
What are the key properties of 5-ethyl-4-hydroxycyclohex-2-en-1-one?
5-ethyl-4-hydroxycyclohex-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxycyclohex-2-en-1-one is sourced from PubChem (CID 91579144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).