dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate

C10H14O4 — CID 10104183

IUPACdimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
SMILESCOC(=O)C1=CCC(C)(C(=O)OC)C1
InChIInChI=1S/C10H14O4/c1-10(9(12)14-3)5-4-7(6-10)8(11)13-2/h4H,5-6H2,1-3H3
InChIKeyNXJBZCDJJGDIHM-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds2

About dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate

dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate (PubChem CID 10104183) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
PubChem CID10104183
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namedimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate
SMILESCOC(=O)C1=CCC(C)(C(=O)OC)C1
InChIInChI=1S/C10H14O4/c1-10(9(12)14-3)5-4-7(6-10)8(11)13-2/h4H,5-6H2,1-3H3
InChIKeyNXJBZCDJJGDIHM-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate?
The IUPAC name of dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate (CID 10104183) is dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate is COC(=O)C1=CCC(C)(C(=O)OC)C1.
What is the InChIKey of dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate?
The InChIKey is NXJBZCDJJGDIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-10(9(12)14-3)5-4-7(6-10)8(11)13-2/h4H,5-6H2,1-3H3.
What are the key properties of dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate?
dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methylcyclopent-3-ene-1,3-dicarboxylate is sourced from PubChem (CID 10104183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).