dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate

C11H16O4 — CID 14338869

IUPACdimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate
SMILESCCC1(CC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C11H16O4/c1-5-11(6-2)7(9(12)14-3)8(11)10(13)15-4/h5-6H2,1-4H3
InChIKeyDDAPWRGLAGSXRW-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds4

About dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate

dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate (PubChem CID 14338869) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate
PubChem CID14338869
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namedimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate
SMILESCCC1(CC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C11H16O4/c1-5-11(6-2)7(9(12)14-3)8(11)10(13)15-4/h5-6H2,1-4H3
InChIKeyDDAPWRGLAGSXRW-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
(e)-Dimethyl 2-ethylidene-3-methylpentanedioate
CID 12716291
5-Methyl-3,5-dicarbomethoxy-2-heptene
CID 129721834
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
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
Methyl 2,3,3,4,5,6,6-heptamethylcyclohexa-1,4-dienecarboxylate
CID 71187094

Frequently Asked Questions

What is the IUPAC name of dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate (CID 14338869) is dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate is CCC1(CC)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate?
The InChIKey is DDAPWRGLAGSXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-11(6-2)7(9(12)14-3)8(11)10(13)15-4/h5-6H2,1-4H3.
What are the key properties of dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate?
dimethyl 3,3-diethylcyclopropene-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 dimethyl 3,3-diethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 14338869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).