trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate

C18H34O4Si — CID 101039601

IUPACtrans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
SMILESCC[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1C[Si](CC)(CC)CC
InChIInChI=1S/C18H34O4Si/c1-7-14-11-18(16(19)21-5,17(20)22-6)12-15(14)13-23(8-2,9-3)10-4/h14-15H,7-13H2,1-6H3/t14-,15+/m1/s1
InChIKeyQOSFZOBREMHKLC-CABCVRRESA-N
MW342.55 g/mol
LogP4.26
Rot. Bonds8

About trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate

trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate (PubChem CID 101039601) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Nametrans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
PubChem CID101039601
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nametrans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
SMILESCC[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1C[Si](CC)(CC)CC
InChIInChI=1S/C18H34O4Si/c1-7-14-11-18(16(19)21-5,17(20)22-6)12-15(14)13-23(8-2,9-3)10-4/h14-15H,7-13H2,1-6H3/t14-,15+/m1/s1
InChIKeyQOSFZOBREMHKLC-CABCVRRESA-N
XLogP4.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.26
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-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-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

trans-dimethyl (3S,4R)-3-(2-triethylsilylethyl)-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 10671515
trans-dimethyl (3S,4R)-3-(2-methoxy-2-oxoethyl)-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 10500383
trans-dimethyl (3S,4S)-3-pentyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 102006866
trans-dimethyl (3S,4S)-3-ethyl-4-(4-triethylsilylbutyl)cyclopentane-1,1-dicarboxylate
CID 177499178
diethyl 3-ethyl-4-(triethylsilylmethyl)cyclohexane-1,1-dicarboxylate
CID 101010846
cis-dimethyl (3S,4R)-3-(iodomethyl)-4-(trimethylsilylmethyl)cyclopentane-1,1-dicarboxylate
CID 101176905
dimethyl (1S,2R)-1-methyl-2-(triethylsilylmethyl)spiro[4.4]nonane-4,4-dicarboxylate
CID 10691336
dimethyl 3-methyl-4-[tri(propan-2-yl)silylmethyl]cyclopentane-1,1-dicarboxylate
CID 101154653
dimethyl 6-oxabicyclo[3.1.0]hexane-3,3-dicarboxylate
CID 14970965
cis-dimethyl (3R,4R)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
CID 11783022
methyl 1-butanoyl-3-methylcyclobutane-1-carboxylate
CID 79560514
tetramethyl 4-oxocyclohexane-1,1,3,5-tetracarboxylate
CID 574938

Frequently Asked Questions

What is the IUPAC name of trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate?
The IUPAC name of trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate (CID 101039601) is trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate.
What is the SMILES notation for trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate?
The canonical SMILES for trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate is CC[C@@H]1CC(C(=O)OC)(C(=O)OC)C[C@H]1C[Si](CC)(CC)CC.
What is the InChIKey of trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate?
The InChIKey is QOSFZOBREMHKLC-CABCVRRESA-N. The full InChI is InChI=1S/C18H34O4Si/c1-7-14-11-18(16(19)21-5,17(20)22-6)12-15(14)13-23(8-2,9-3)10-4/h14-15H,7-13H2,1-6H3/t14-,15+/m1/s1.
What are the key properties of trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate?
trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate has a molecular weight of 342.55 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-dimethyl (3R,4R)-3-ethyl-4-(triethylsilylmethyl)cyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 101039601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).