dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate

C13H20O4 — CID 11746732

IUPACdipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCCCOC(=O)C1=C(C(=O)OCCC)C1(C)C
InChIInChI=1S/C13H20O4/c1-5-7-16-11(14)9-10(13(9,3)4)12(15)17-8-6-2/h5-8H2,1-4H3
InChIKeyMZEKNKAPCSKPMD-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.23
Rot. Bonds6

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

dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (PubChem CID 11746732) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.

Molecular Properties

Compound Namedipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
PubChem CID11746732
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namedipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
SMILESCCCOC(=O)C1=C(C(=O)OCCC)C1(C)C
InChIInChI=1S/C13H20O4/c1-5-7-16-11(14)9-10(13(9,3)4)12(15)17-8-6-2/h5-8H2,1-4H3
InChIKeyMZEKNKAPCSKPMD-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.23
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
Ditert-butyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 15189596
Diethyl 3,3-dimethylcyclopropene-1,2-dicarboxylate
CID 86198726
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 dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The IUPAC name of dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate (CID 11746732) is dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate.
What is the SMILES notation for dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The canonical SMILES for dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is CCCOC(=O)C1=C(C(=O)OCCC)C1(C)C.
What is the InChIKey of dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
The InChIKey is MZEKNKAPCSKPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-5-7-16-11(14)9-10(13(9,3)4)12(15)17-8-6-2/h5-8H2,1-4H3.
What are the key properties of dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate?
dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 3,3-dimethylcyclopropene-1,2-dicarboxylate is sourced from PubChem (CID 11746732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).