dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate

C11H16O4 — CID 564785

IUPACdimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate
SMILESC=C1CC(C(=O)OC)C(C(=O)OC)C1C
InChIInChI=1S/C11H16O4/c1-6-5-8(10(12)14-3)9(7(6)2)11(13)15-4/h7-9H,1,5H2,2-4H3
InChIKeyIRBHDILGKXGUND-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.16
Rot. Bonds2

About dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate

dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate (PubChem CID 564785) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate
PubChem CID564785
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namedimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate
SMILESC=C1CC(C(=O)OC)C(C(=O)OC)C1C
InChIInChI=1S/C11H16O4/c1-6-5-8(10(12)14-3)9(7(6)2)11(13)15-4/h7-9H,1,5H2,2-4H3
InChIKeyIRBHDILGKXGUND-UHFFFAOYSA-N
XLogP1.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate (CID 564785) is dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate is C=C1CC(C(=O)OC)C(C(=O)OC)C1C.
What is the InChIKey of dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate?
The InChIKey is IRBHDILGKXGUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-6-5-8(10(12)14-3)9(7(6)2)11(13)15-4/h7-9H,1,5H2,2-4H3.
What are the key properties of dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate?
dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-4-methylidenecyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 564785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).