dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate

C13H22O4Si — CID 552558

IUPACdimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESC=C1CC(C(=O)OC)C(C(=O)OC)C1[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-8-7-9(12(14)16-2)10(13(15)17-3)11(8)18(4,5)6/h9-11H,1,7H2,2-6H3
InChIKeyGUXOHZHLPNLDQC-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.23
Rot. Bonds3

About dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate

dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate (PubChem CID 552558) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate
PubChem CID552558
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Namedimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate
SMILESC=C1CC(C(=O)OC)C(C(=O)OC)C1[Si](C)(C)C
InChIInChI=1S/C13H22O4Si/c1-8-7-9(12(14)16-2)10(13(15)17-3)11(8)18(4,5)6/h9-11H,1,7H2,2-6H3
InChIKeyGUXOHZHLPNLDQC-UHFFFAOYSA-N
XLogP2.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl (1R,2R)-4-methylidenecyclopentane-1,2-dicarboxylate
CID 929224
Diethyl 4-methylenecyclopentane-1,2-dicarboxylate
CID 556160
1,2-Cyclopentanedicarboxylic acid, 4-methylene-, dimethyl ester, trans-
CID 642644
methyl 2-[(1R,2R)-2-[(E)-2-methyl-3-trimethylsilylprop-1-enyl]cyclopentyl]acetate
CID 134901089
dimethyl (1R,2S,3S,4S)-7-trimethylsilylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 135049479
Cyclopentanecarboxylic acid, 3-methylene-2-methoxymethyl-, methyl ester
CID 542462
Cyclopentane-trans-1,2-dicarboxylic acid, 4-methylene-3-trimethylsilyl-, diethyl ester
CID 552561
Diethyl 3-methyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552673
Diethyl 3,3-dimethyl-4-methylene-5-(trimethylsilyl)-1,2-cyclopentanedicarboxylate
CID 552786
Cyclopentane-1R,2-trans-dicarboxylic acid, 4-isopropylidene-cis-3-trimethylsilyl-, diethyl ester
CID 552787
Diethyl 4-[(trimethylsilyl)methylene]-1,2-cyclopentanedicarboxylate
CID 554493
1,2-Cyclopentanedicarboxylic acid, 3-methylene-, dimethyl ester
CID 556611

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
The IUPAC name of dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate (CID 552558) is dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
The canonical SMILES for dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate is C=C1CC(C(=O)OC)C(C(=O)OC)C1[Si](C)(C)C.
What is the InChIKey of dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
The InChIKey is GUXOHZHLPNLDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-8-7-9(12(14)16-2)10(13(15)17-3)11(8)18(4,5)6/h9-11H,1,7H2,2-6H3.
What are the key properties of dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate?
dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate has a molecular weight of 270.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-methylidene-3-trimethylsilylcyclopentane-1,2-dicarboxylate is sourced from PubChem (CID 552558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).