dipropan-2-yl cyclopentene-1,2-dicarboxylate

C13H20O4 — CID 141396047

IUPACdipropan-2-yl cyclopentene-1,2-dicarboxylate
SMILESCC(C)OC(=O)C1=C(C(=O)OC(C)C)CCC1
InChIInChI=1S/C13H20O4/c1-8(2)16-12(14)10-6-5-7-11(10)13(15)17-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyXCBVDEWUZNXTQY-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.37
Rot. Bonds4

About dipropan-2-yl cyclopentene-1,2-dicarboxylate

dipropan-2-yl cyclopentene-1,2-dicarboxylate (PubChem CID 141396047) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is dipropan-2-yl cyclopentene-1,2-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl cyclopentene-1,2-dicarboxylate
PubChem CID141396047
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namedipropan-2-yl cyclopentene-1,2-dicarboxylate
SMILESCC(C)OC(=O)C1=C(C(=O)OC(C)C)CCC1
InChIInChI=1S/C13H20O4/c1-8(2)16-12(14)10-6-5-7-11(10)13(15)17-9(3)4/h8-9H,5-7H2,1-4H3
InChIKeyXCBVDEWUZNXTQY-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
2-Hexyl-3-methylmaleic anhydride
CID 11127184
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
Squamostanal A
CID 85308895
13,13'-Dehydrohomoancepsenolide
CID 10045822
Homoancepsenolide
CID 10318257
(2S)-4-dodec-11-enyl-2-methyl-2H-furan-5-one
CID 10801599
Dimethyl 7-oxabicyclo[2.2.1]hept-2-ene-2,3-dicarboxylate
CID 304403
Dihydrobovolide, (+-)-
CID 13192443
(2R)-4-hexadecyl-2-methyl-2H-furan-5-one
CID 10687323
1-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester
CID 78039

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl cyclopentene-1,2-dicarboxylate?
The IUPAC name of dipropan-2-yl cyclopentene-1,2-dicarboxylate (CID 141396047) is dipropan-2-yl cyclopentene-1,2-dicarboxylate.
What is the SMILES notation for dipropan-2-yl cyclopentene-1,2-dicarboxylate?
The canonical SMILES for dipropan-2-yl cyclopentene-1,2-dicarboxylate is CC(C)OC(=O)C1=C(C(=O)OC(C)C)CCC1.
What is the InChIKey of dipropan-2-yl cyclopentene-1,2-dicarboxylate?
The InChIKey is XCBVDEWUZNXTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-8(2)16-12(14)10-6-5-7-11(10)13(15)17-9(3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of dipropan-2-yl cyclopentene-1,2-dicarboxylate?
dipropan-2-yl cyclopentene-1,2-dicarboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl cyclopentene-1,2-dicarboxylate is sourced from PubChem (CID 141396047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).