cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate

C15H22O2Si — CID 101464653

IUPACcis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1([Si](C)(C)c2ccccc2)C[C@H]1C
InChIInChI=1S/C15H22O2Si/c1-5-17-14(16)15(11-12(15)2)18(3,4)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3/t12-,15-/m1/s1
InChIKeyGDWZGKFWSAJWCZ-IUODEOHRSA-N
MW262.43 g/mol
LogP2.95
Rot. Bonds4

About cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate

cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate (PubChem CID 101464653) has the molecular formula C15H22O2Si and a molecular weight of 262.43 g/mol. Its IUPAC name is cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
PubChem CID101464653
Molecular FormulaC15H22O2Si
Molecular Weight262.43 g/mol
Exact Mass262.14
IUPAC Namecis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1([Si](C)(C)c2ccccc2)C[C@H]1C
InChIInChI=1S/C15H22O2Si/c1-5-17-14(16)15(11-12(15)2)18(3,4)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3/t12-,15-/m1/s1
InChIKeyGDWZGKFWSAJWCZ-IUODEOHRSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate 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-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
trans-diethyl (3R,4R)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-1-enyl]-4-[(E)-3-trimethylstannylprop-1-enyl]cyclopentane-1,1-dicarboxylate
CID 177464662
ethyl (1S,3S,4S,5S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-hydroxy-2,7-dioxabicyclo[2.2.1]heptane-1-carboxylate
CID 101336180
cis-ethyl (1S,2R)-2-phenyl-1-propylcyclopropane-1-carboxylate
CID 101471522
trans-diethyl (2S,3S)-2-methyl-3-phenylcyclopropane-1,1-dicarboxylate
CID 23266686
ethyl (3R,4R)-4-hydroxy-5-oxo-3-phenyloxolane-3-carboxylate
CID 10332326
diethyl (3Z)-3-[1-[benzyl(dimethyl)silyl]ethylidene]-4-methylcyclopentane-1,1-dicarboxylate
CID 102074245
trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate
CID 132516898
ethyl 4-[dimethyl(phenyl)silyl]benzoate
CID 86233969
diethyl (3E)-3-benzylidene-4-methylcyclopentane-1,1-dicarboxylate
CID 134941037

Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate (CID 101464653) is cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate is CCOC(=O)[C@@]1([Si](C)(C)c2ccccc2)C[C@H]1C.
What is the InChIKey of cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate?
The InChIKey is GDWZGKFWSAJWCZ-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22O2Si/c1-5-17-14(16)15(11-12(15)2)18(3,4)13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3/t12-,15-/m1/s1.
What are the key properties of cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate?
cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate has a molecular weight of 262.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1R,2R)-1-[dimethyl(phenyl)silyl]-2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 101464653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).