dimethyl cyclopent-2-ene-1,2-dicarboxylate

C9H12O4 — CID 14936178

IUPACdimethyl cyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CCCC1C(=O)OC
InChIInChI=1S/C9H12O4/c1-12-8(10)6-4-3-5-7(6)9(11)13-2/h4,7H,3,5H2,1-2H3
InChIKeyMFOWAHLQVDKYOV-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.67
Rot. Bonds2

About dimethyl cyclopent-2-ene-1,2-dicarboxylate

dimethyl cyclopent-2-ene-1,2-dicarboxylate (PubChem CID 14936178) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is dimethyl cyclopent-2-ene-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl cyclopent-2-ene-1,2-dicarboxylate
PubChem CID14936178
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Namedimethyl cyclopent-2-ene-1,2-dicarboxylate
SMILESCOC(=O)C1=CCCC1C(=O)OC
InChIInChI=1S/C9H12O4/c1-12-8(10)6-4-3-5-7(6)9(11)13-2/h4,7H,3,5H2,1-2H3
InChIKeyMFOWAHLQVDKYOV-UHFFFAOYSA-N
XLogP0.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl cyclopent-2-ene-1,2-dicarboxylate?
The IUPAC name of dimethyl cyclopent-2-ene-1,2-dicarboxylate (CID 14936178) is dimethyl cyclopent-2-ene-1,2-dicarboxylate.
What is the SMILES notation for dimethyl cyclopent-2-ene-1,2-dicarboxylate?
The canonical SMILES for dimethyl cyclopent-2-ene-1,2-dicarboxylate is COC(=O)C1=CCCC1C(=O)OC.
What is the InChIKey of dimethyl cyclopent-2-ene-1,2-dicarboxylate?
The InChIKey is MFOWAHLQVDKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4/c1-12-8(10)6-4-3-5-7(6)9(11)13-2/h4,7H,3,5H2,1-2H3.
What are the key properties of dimethyl cyclopent-2-ene-1,2-dicarboxylate?
dimethyl cyclopent-2-ene-1,2-dicarboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl cyclopent-2-ene-1,2-dicarboxylate is sourced from PubChem (CID 14936178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).