trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

C21H32O4Si — CID 10738321

IUPACtrans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C[C@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C21H32O4Si/c1-6-24-19(22)21(20(23)25-7-2)13-16(3)17(14-21)15-26(4,5)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3/t16-,17-/m1/s1
InChIKeyZPQPGQXTQXJPNL-IAGOWNOFSA-N
MW376.57 g/mol
LogP3.76
Rot. Bonds7

About trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (PubChem CID 10738321) has the molecular formula C21H32O4Si and a molecular weight of 376.57 g/mol. Its IUPAC name is trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Nametrans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
PubChem CID10738321
Molecular FormulaC21H32O4Si
Molecular Weight376.57 g/mol
Exact Mass376.21
IUPAC Nametrans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C[C@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C21H32O4Si/c1-6-24-19(22)21(20(23)25-7-2)13-16(3)17(14-21)15-26(4,5)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3/t16-,17-/m1/s1
InChIKeyZPQPGQXTQXJPNL-IAGOWNOFSA-N
XLogP3.76
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-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 3-(phenylselanylmethyl)cyclopentane-1,1-dicarboxylate
CID 11760759
diethyl 2-[(1S,3aS,6aS)-3a-methyl-6-methylidene-1,4,5,6a-tetrahydropentalen-1-yl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]propanedioate
CID 10984700
diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-(2-oxoethyl)cyclopentane-1,1-dicarboxylate
CID 11200477
diethyl (3Z)-3-[[dimethyl(phenyl)silyl]methylidene]-4-methylcyclopentane-1,1-dicarboxylate
CID 11222583
dimethyl (4Z)-3-ethenyl-4-(1-phenylethylidene)cyclopentane-1,1-dicarboxylate
CID 11347559
trans-diethyl (3S,4S)-3-(1-tributylstannylethenyl)-4-(1-triphenylgermylethenyl)cyclopentane-1,1-dicarboxylate
CID 11366443
Diethyl 3-(diphenylphosphanylmethyl)-4-methylcyclopentane-1,1-dicarboxylate
CID 12194668
cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 15473513
diethyl (3Z)-3-benzylidene-4-ethenyl-2-methylcyclopentane-1,1-dicarboxylate
CID 15833847
diethyl 2-[(E)-5-phenyl-1-trimethylsilylpent-1-en-3-yl]propanedioate
CID 24881698
diethyl (3E,4Z)-3-ethylidene-4-(1-phenylethylidene)cyclopentane-1,1-dicarboxylate
CID 46210092
dimethyl (4Z)-3-[[dimethyl(phenyl)silyl]methyl]-4-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]cyclopentane-1,1-dicarboxylate
CID 49857844

Frequently Asked Questions

What is the IUPAC name of trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (CID 10738321) is trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C[C@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1.
What is the InChIKey of trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is ZPQPGQXTQXJPNL-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H32O4Si/c1-6-24-19(22)21(20(23)25-7-2)13-16(3)17(14-21)15-26(4,5)18-11-9-8-10-12-18/h8-12,16-17H,6-7,13-15H2,1-5H3/t16-,17-/m1/s1.
What are the key properties of trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 376.57 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 10738321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).