[2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate

C14H14O6 — CID 141076006

IUPAC[2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1C=CC(OC)=CC1=C=O
InChIInChI=1S/C14H14O6/c1-9(2)14(17)19-8-13(16)20-12-5-4-11(18-3)6-10(12)7-15/h4-6,12H,1,8H2,2-3H3
InChIKeySHVWZAOLNZQOCU-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.88
Rot. Bonds5

About [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate

[2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 141076006) has the molecular formula C14H14O6 and a molecular weight of 278.26 g/mol. Its IUPAC name is [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID141076006
Molecular FormulaC14H14O6
Molecular Weight278.26 g/mol
Exact Mass278.08
IUPAC Name[2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC1C=CC(OC)=CC1=C=O
InChIInChI=1S/C14H14O6/c1-9(2)14(17)19-8-13(16)20-12-5-4-11(18-3)6-10(12)7-15/h4-6,12H,1,8H2,2-3H3
InChIKeySHVWZAOLNZQOCU-UHFFFAOYSA-N
XLogP0.88
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate 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

Chorismic Acid
CID 12039
3-((1-Carboxylatoethenyl)oxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylate
CID 5460312
3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid
CID 306
methyl 4-methyl-2-oxo-2H-pyran-6-carboxylate
CID 2739565
Iso-arabidopaldehyde
CID 102515091
Iso-arabidopyl alcohol
CID 102515144
Arabidopaldehyde
CID 102515159
Iso-arabidopate
CID 102515465
Ethyl 2-methyl-5-oxo-4-prop-2-enoxyfuran-2-carboxylate
CID 101842016
6-Acetoxy-2,4-cyclohexadienone
CID 19865275
Carbethoxypyran
CID 129813797
Ethyl 3-fluoro-4-methyl-6-oxopyran-2-carboxylate
CID 14516685

Frequently Asked Questions

What is the IUPAC name of [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate (CID 141076006) is [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OC1C=CC(OC)=CC1=C=O.
What is the InChIKey of [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is SHVWZAOLNZQOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O6/c1-9(2)14(17)19-8-13(16)20-12-5-4-11(18-3)6-10(12)7-15/h4-6,12H,1,8H2,2-3H3.
What are the key properties of [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate?
[2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 278.26 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-methoxy-6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]oxy-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141076006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).