dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate

C11H14O6 — CID 14044385

IUPACdimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)/C=C/C1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H14O6/c1-15-8(12)5-4-7-6-11(7,9(13)16-2)10(14)17-3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyBGQPDZMQUXHGKF-SNAWJCMRSA-N
MW242.23 g/mol
LogP0.07
Rot. Bonds4

About dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate

dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate (PubChem CID 14044385) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate
PubChem CID14044385
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Namedimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate
SMILESCOC(=O)/C=C/C1CC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H14O6/c1-15-8(12)5-4-7-6-11(7,9(13)16-2)10(14)17-3/h4-5,7H,6H2,1-3H3/b5-4+
InChIKeyBGQPDZMQUXHGKF-SNAWJCMRSA-N
XLogP0.07
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate 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

diethyl 2-[(E)-3-oxobut-1-enyl]cyclopropane-1,1-dicarboxylate
CID 20327015
dimethyl 2-[(E)-3-oxobut-1-enyl]cyclopropane-1,1-dicarboxylate
CID 20327021
methyl 3-[(Z)-2-fluoro-3-methoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 14043453
Methyl 3-(2-fluoro-3-methoxy-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 53761735
Cyclopropanecarboxylic acid, 3-(3-methoxy-2-meth
CID 5369939
Dimethyl 2-prop-1-enylcyclopropane-1,1-dicarboxylate
CID 556403
trans-methyl (2S,3S)-1-acetyl-2-[(E)-3-methoxy-3-oxoprop-1-enyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 11022291
dimethyl 2-[(1E)-buta-1,3-dienyl]cyclopropane-1,1-dicarboxylate
CID 11095879
trimethyl (E)-but-3-ene-1,1,4-tricarboxylate
CID 13156618
dimethyl 2-[(E)-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate
CID 15417311
Dimethyl 2-(buta-1,3-dien-1-yl)cyclopropane-1,1-dicarboxylate
CID 71330691
dimethyl 2-[(E)-hex-1-enyl]cyclopropane-1,1-dicarboxylate
CID 102143480

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate (CID 14044385) is dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate is COC(=O)/C=C/C1CC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate?
The InChIKey is BGQPDZMQUXHGKF-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H14O6/c1-15-8(12)5-4-7-6-11(7,9(13)16-2)10(14)17-3/h4-5,7H,6H2,1-3H3/b5-4+.
What are the key properties of dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate?
dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate has a molecular weight of 242.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]cyclopropane-1,1-dicarboxylate is sourced from PubChem (CID 14044385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).