cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

C29H42O5Si2 — CID 15473513

IUPACcis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C[C@H](C[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C29H42O5Si2/c1-22-19-29(26(30)32-5,27(31)33-6)20-23(22)21-35(7,8)34-36(28(2,3)4,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3/t22-,23+/m0/s1
InChIKeyMGMMXZJGFJKWES-XZOQPEGZSA-N
MW526.82 g/mol
LogP5.15
Rot. Bonds8

About cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (PubChem CID 15473513) has the molecular formula C29H42O5Si2 and a molecular weight of 526.82 g/mol. Its IUPAC name is cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namecis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
PubChem CID15473513
Molecular FormulaC29H42O5Si2
Molecular Weight526.82 g/mol
Exact Mass526.26
IUPAC Namecis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)C[C@H](C[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)C1
InChIInChI=1S/C29H42O5Si2/c1-22-19-29(26(30)32-5,27(31)33-6)20-23(22)21-35(7,8)34-36(28(2,3)4,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3/t22-,23+/m0/s1
InChIKeyMGMMXZJGFJKWES-XZOQPEGZSA-N
XLogP5.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.82
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]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

dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-[(E,1R)-1,3-diphenylprop-2-enyl]propanedioate
CID 49831475
trans-diethyl (3S,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 10738321
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-methylcyclopentane-1,1-dicarboxylate
CID 11222583
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
Dimethyl 2-[1-[dimethyl(phenyl)silyl]cyclohexyl]propanedioate
CID 13299149
Dimethyl 2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]pent-4-enyl]propanedioate
CID 24894962
methyl (3aR,6R,6aS)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxo-4,5,6,6a-tetrahydro-1H-cyclopenta[c]furan-3a-carboxylate
CID 24894963
dimethyl (3S,3aR,6R)-7-methyl-3,6-diphenyl-4-tri(propan-2-yl)silyloxy-1,3,3a,6-tetrahydroindene-2,2-dicarboxylate
CID 101513186
dimethyl (3S,3aR,6R,6aS)-6a-ethenyl-3,6-diphenyl-4-tri(propan-2-yl)silyloxy-1,3,3a,6-tetrahydropentalene-2,2-dicarboxylate
CID 101513192
diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
CID 102074245

Frequently Asked Questions

What is the IUPAC name of cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (CID 15473513) is cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)C[C@H](C[Si](C)(C)O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C)C1.
What is the InChIKey of cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is MGMMXZJGFJKWES-XZOQPEGZSA-N. The full InChI is InChI=1S/C29H42O5Si2/c1-22-19-29(26(30)32-5,27(31)33-6)20-23(22)21-35(7,8)34-36(28(2,3)4,24-15-11-9-12-16-24)25-17-13-10-14-18-25/h9-18,22-23H,19-21H2,1-8H3/t22-,23+/m0/s1.
What are the key properties of cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 526.82 g/mol, XLogP of 5.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-dimethyl (3S,4S)-3-[[[tert-butyl(diphenyl)silyl]oxy-dimethylsilyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 15473513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).