dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate

C10H12O5 — CID 54707939

IUPACdimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(C)C(C(=O)OC)=C(O)C1
InChIInChI=1S/C10H12O5/c1-5-6(9(12)14-2)4-7(11)8(5)10(13)15-3/h11H,4H2,1-3H3
InChIKeyOFYOVWMXZYGWIE-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.86
Rot. Bonds2

About dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate

dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate (PubChem CID 54707939) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
PubChem CID54707939
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Namedimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=C(C)C(C(=O)OC)=C(O)C1
InChIInChI=1S/C10H12O5/c1-5-6(9(12)14-2)4-7(11)8(5)10(13)15-3/h11H,4H2,1-3H3
InChIKeyOFYOVWMXZYGWIE-UHFFFAOYSA-N
XLogP0.86
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate (CID 54707939) is dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate is COC(=O)C1=C(C)C(C(=O)OC)=C(O)C1.
What is the InChIKey of dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
The InChIKey is OFYOVWMXZYGWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-5-6(9(12)14-2)4-7(11)8(5)10(13)15-3/h11H,4H2,1-3H3.
What are the key properties of dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate?
dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-hydroxy-2-methylcyclopenta-1,3-diene-1,3-dicarboxylate is sourced from PubChem (CID 54707939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).