3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one

C14H18O3 — CID 10059922

IUPAC3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C14H18O3/c1-2-17-12-6-7-13(14(16)9-12)10-4-3-5-11(15)8-10/h8-9,13H,2-7H2,1H3
InChIKeyPWDQZZPFEGVAHE-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.57
Rot. Bonds3

About 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one

3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one (PubChem CID 10059922) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one
PubChem CID10059922
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one
SMILESCCOC1=CC(=O)C(C2=CC(=O)CCC2)CC1
InChIInChI=1S/C14H18O3/c1-2-17-12-6-7-13(14(16)9-12)10-4-3-5-11(15)8-10/h8-9,13H,2-7H2,1H3
InChIKeyPWDQZZPFEGVAHE-UHFFFAOYSA-N
XLogP2.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester
CID 100968
2,7,7-Trimethyl-7,8-dihydro-6H-chromene-4,5-dione
CID 788398
2-Cyclohexen-1-one, 3-ethoxy-5-methyl-
CID 10855691
6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
5-[3-(3,3-Dimethyloxiranyl)-1-methylenepropyl]-2-methyl-2-cyclohexen-1-one
CID 14191344
4,4a,5,6-Tetrahydro-7-methoxy-2(3H)-naphthalenone
CID 12229722
3-Ethoxy-2,6-dimethylcyclohex-2-en-1-one
CID 13600083
2-Cyclopentyl-3-methoxy-cyclohex-2-enone
CID 22260071
2-Isopropyl-3-methoxy-cyclohex-2-enone
CID 22260134
(6Z)-2-cyclopentyl-6-(hydroxymethylidene)-3-methoxycyclohex-2-en-1-one
CID 60127782
(+)-Membrenone C
CID 11500929
3-Methoxy-5-pentyl-2-cyclohexen-1-one
CID 3017092

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one (CID 10059922) is 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one is CCOC1=CC(=O)C(C2=CC(=O)CCC2)CC1.
What is the InChIKey of 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one?
The InChIKey is PWDQZZPFEGVAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-17-12-6-7-13(14(16)9-12)10-4-3-5-11(15)8-10/h8-9,13H,2-7H2,1H3.
What are the key properties of 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one?
3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-(3-oxocyclohexen-1-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 10059922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).