dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate

C11H14O4 — CID 102272246

IUPACdimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C11H14O4/c1-6(2)7-5-8(10(12)14-3)9(7)11(13)15-4/h7H,1,5H2,2-4H3
InChIKeyCPMSWSJVGNWLND-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.23
Rot. Bonds3

About dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate

dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate (PubChem CID 102272246) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate
PubChem CID102272246
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namedimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate
SMILESC=C(C)C1CC(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C11H14O4/c1-6(2)7-5-8(10(12)14-3)9(7)11(13)15-4/h7H,1,5H2,2-4H3
InChIKeyCPMSWSJVGNWLND-UHFFFAOYSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tetramethyl (1Z,5Z)-3,7-di(propan-2-yl)cycloocta-1,5-diene-1,2,5,6-tetracarboxylate
CID 11080386
dimethyl 3-tert-butylcyclobutene-1,2-dicarboxylate
CID 100947328
methyl (5S)-2-(chloromethyl)-5-prop-1-en-2-ylcyclopentene-1-carboxylate
CID 94037507
methyl 5-[methoxy(methyl)carbamoyl]-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
CID 10515162
dimethyl (1S,4S)-bicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 124541983
methyl (4S)-2,4-dimethylcyclopentene-1-carboxylate
CID 58200009
hexamethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),4,9(14),11,15(20),17-hexaene-4,5,11,12,17,18-hexacarboxylate
CID 13068956
dimethyl 3-hexylcyclobutene-1,2-dicarboxylate
CID 11075996
methyl 2-methylprop-2-enoate;nickel
CID 88732958
dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate
CID 177449597
dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate
CID 54679371

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate (CID 102272246) is dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate is C=C(C)C1CC(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate?
The InChIKey is CPMSWSJVGNWLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-6(2)7-5-8(10(12)14-3)9(7)11(13)15-4/h7H,1,5H2,2-4H3.
What are the key properties of dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate?
dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-prop-1-en-2-ylcyclobutene-1,2-dicarboxylate is sourced from PubChem (CID 102272246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).