dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate

C11H16O4 — CID 11085103

IUPACdimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate
SMILESC=C[C@H]1CCCC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H16O4/c1-4-8-6-5-7-11(8,9(12)14-2)10(13)15-3/h4,8H,1,5-7H2,2-3H3/t8-/m0/s1
InChIKeyXPQDLEKKYKFECQ-QMMMGPOBSA-N
MW212.24 g/mol
LogP1.30
Rot. Bonds3

About dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate

dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate (PubChem CID 11085103) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate
PubChem CID11085103
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namedimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate
SMILESC=C[C@H]1CCCC1(C(=O)OC)C(=O)OC
InChIInChI=1S/C11H16O4/c1-4-8-6-5-7-11(8,9(12)14-2)10(13)15-3/h4,8H,1,5-7H2,2-3H3/t8-/m0/s1
InChIKeyXPQDLEKKYKFECQ-QMMMGPOBSA-N
XLogP1.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.30
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'}

Analyze dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Diethyl (1-methylbutyl)allylmalonate
CID 95451
Dimethyl 2-(2-cyclohexen-1-yl)malonate
CID 10889207
Dimethyl 2-methylcyclopentane-1,1-dicarboxylate
CID 14961122
Dimethyl 3-methylene-4-vinyl-1,1-cyclopentanedicarboxylate
CID 10537100
Propanedioic acid, (1-ethylbutyl)-, dimethyl ester, (R)-
CID 12989961
dimethyl (3aS,7aR)-3-methylidene-3a,6,7,7a-tetrahydro-2H-indene-1,1-dicarboxylate
CID 14120765
Qmaoulsqwrxrej-uhfffaoysa-
CID 15204815
methyl (1R,2R,5R)-2-methyl-5-propan-2-yl-1-prop-2-enylcyclopentane-1-carboxylate
CID 56595630
dimethyl (3aS,7aR)-3,3-dimethyl-3a,6,7,7a-tetrahydro-2H-indene-1,1-dicarboxylate
CID 134980504
methyl 2-[(1R)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420347
methyl 2-[(1S)-1,2-dimethyl-3-methylidenecyclopentyl]acetate
CID 162420348
dimethyl 2-[(1R)-cyclohex-2-en-1-yl]propanedioate
CID 10867595

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate (CID 11085103) is dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate is C=C[C@H]1CCCC1(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate?
The InChIKey is XPQDLEKKYKFECQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-8-6-5-7-11(8,9(12)14-2)10(13)15-3/h4,8H,1,5-7H2,2-3H3/t8-/m0/s1.
What are the key properties of dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate?
dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-ethenylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 11085103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).