dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate

C10H14O4 — CID 10976447

IUPACdimethyl 2-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CCCC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O4/c1-7-5-4-6-10(7,8(11)13-2)9(12)14-3/h1,4-6H2,2-3H3
InChIKeyIWKOMYVXYMWDLI-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds2

About dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate

dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate (PubChem CID 10976447) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-methylidenecyclopentane-1,1-dicarboxylate
PubChem CID10976447
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namedimethyl 2-methylidenecyclopentane-1,1-dicarboxylate
SMILESC=C1CCCC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C10H14O4/c1-7-5-4-6-10(7,8(11)13-2)9(12)14-3/h1,4-6H2,2-3H3
InChIKeyIWKOMYVXYMWDLI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate (CID 10976447) is dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate is C=C1CCCC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate?
The InChIKey is IWKOMYVXYMWDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7-5-4-6-10(7,8(11)13-2)9(12)14-3/h1,4-6H2,2-3H3.
What are the key properties of dimethyl 2-methylidenecyclopentane-1,1-dicarboxylate?
dimethyl 2-methylidenecyclopentane-1,1-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 2-methylidenecyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10976447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).