diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

C11H16O4 — CID 86198726

IUPACdiethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)C1(C)C
InChIInChI=1S/C11H16O4/c1-5-14-9(12)7-8(11(7,3)4)10(13)15-6-2/h5-6H2,1-4H3
InChIKeyCPKIVWFWIVTYCC-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds4

About diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 86198726) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID86198726
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namediethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)C1(C)C
InChIInChI=1S/C11H16O4/c1-5-14-9(12)7-8(11(7,3)4)10(13)15-6-2/h5-6H2,1-4H3
InChIKeyCPKIVWFWIVTYCC-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopropene-1-carboxylic acid, 2,3,3-trimethyl-, methyl ester
CID 11007991
1-Cyclopropene-1,2-dicarboxylic acid, 3,3-dimethyl-, dimethyl ester
CID 11816262
diethyl 2,4,6-trimethyl-4H-pyran-3,5-dicarboxylate
CID 19086098
Bis(2,2,2-trifluoroethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 102305684
Bis(2-methoxyethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 10956648
Bis(2-methoxy-2-oxoethyl) 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11044776
1-O-methyl 2-O-prop-2-enyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11745884
Dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 11746732
Ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 15189596
Ethyl 3-ethyl-2-(3-ethylpentan-3-yl)pent-2-enoate
CID 18551456
3-Isopropyl-2-(tetrahydropyran-4-yl)maleic anhydride
CID 59706537
diethyl (Z)-2-(2,2-dimethylpropyl)-3-ethylbut-2-enedioate
CID 88549417

Frequently Asked Questions

What is the IUPAC name of diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 86198726) is diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)C1(C)C.
What is the InChIKey of diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is CPKIVWFWIVTYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-14-9(12)7-8(11(7,3)4)10(13)15-6-2/h5-6H2,1-4H3.
What are the key properties of diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 86198726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).