1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone

C12H20O4 — CID 121265068

IUPAC1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone
SMILESCCOC1C=C(C(C)=O)CC(OC)C1OC
InChIInChI=1S/C12H20O4/c1-5-16-11-7-9(8(2)13)6-10(14-3)12(11)15-4/h7,10-12H,5-6H2,1-4H3
InChIKeyAOXWWWQWTAEUPG-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.34
Rot. Bonds5

About 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone

1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone (PubChem CID 121265068) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone
PubChem CID121265068
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone
SMILESCCOC1C=C(C(C)=O)CC(OC)C1OC
InChIInChI=1S/C12H20O4/c1-5-16-11-7-9(8(2)13)6-10(14-3)12(11)15-4/h7,10-12H,5-6H2,1-4H3
InChIKeyAOXWWWQWTAEUPG-UHFFFAOYSA-N
XLogP1.34
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Acetyl-3-ethoxy-1-cyclohexene
CID 15143066
Methyl 3,4,5-trimethoxycyclohexene-1-carboxylate
CID 53906750
[(1R,5R,6S)-3-acetyl-5,6-diacetyloxycyclohex-3-en-1-yl] acetate
CID 57831625
(4R,5R)-4,5-dibutoxy-3-(butoxymethyl)cyclohex-2-en-1-one
CID 71079939
3-(1,4-Dioxan-2-yl)cyclohex-2-en-1-one
CID 91472547
1-(3-Methoxy-6-methyl-4-propoxycyclohexen-1-yl)ethanone
CID 118983597
1-(4,5-Dimethoxy-3-propan-2-yloxycyclohexen-1-yl)ethanone
CID 121263514
2-Methyl-1-[3,4,5-tri(propan-2-yloxy)cyclohexen-1-yl]propan-1-one
CID 132080572
1-(3,4,5-Trimethoxycyclohexen-1-yl)ethanone
CID 132082052
1-(3,5-Diethoxy-4-propan-2-yloxycyclohexen-1-yl)propan-1-one
CID 135280830
4,5,6-Trimethoxy-2,3,4,5-tetrahydroinden-1-one
CID 141237646
3-(2,4-dimethoxycyclohexa-1,3-dien-1-yl)-1-[(4R)-4-propoxycyclohexen-1-yl]propan-1-one
CID 141803104

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone?
The IUPAC name of 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone (CID 121265068) is 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone is CCOC1C=C(C(C)=O)CC(OC)C1OC.
What is the InChIKey of 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone?
The InChIKey is AOXWWWQWTAEUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-5-16-11-7-9(8(2)13)6-10(14-3)12(11)15-4/h7,10-12H,5-6H2,1-4H3.
What are the key properties of 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone?
1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4,5-dimethoxycyclohexen-1-yl)ethanone is sourced from PubChem (CID 121265068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).