trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate

C21H26O2Si — CID 132516898

IUPACtrans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)C[C@@]1(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H26O2Si/c1-5-23-19(22)20(17-12-8-6-9-13-17)16-21(20,24(2,3)4)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3/t20-,21-/m0/s1
InChIKeyKYIYRWWCSNYNBW-SFTDATJTSA-N
MW338.52 g/mol
LogP4.71
Rot. Bonds5

About trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate

trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate (PubChem CID 132516898) has the molecular formula C21H26O2Si and a molecular weight of 338.52 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate
PubChem CID132516898
Molecular FormulaC21H26O2Si
Molecular Weight338.52 g/mol
Exact Mass338.17
IUPAC Nametrans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@@]1(c2ccccc2)C[C@@]1(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C21H26O2Si/c1-5-23-19(22)20(17-12-8-6-9-13-17)16-21(20,24(2,3)4)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3/t20-,21-/m0/s1
InChIKeyKYIYRWWCSNYNBW-SFTDATJTSA-N
XLogP4.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4aR,7aR)-7a-hydroxy-6-methyl-5-oxo-3,3-diphenyl-4,7-dihydro-[1,2]dioxino[3,4-c]pyrrole-4a-carboxylate
CID 15364115
ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
ethyl (4aR,7aR)-7a-hydroxy-5-oxo-3,3-diphenyl-6,7-dihydro-4H-[1,2]dioxino[3,4-c]pyrrole-4a-carboxylate
CID 15364123
ethyl (1R)-1-benzyl-2,2-diphenylcyclopropane-1-carboxylate
CID 166441676
diethyl (4E)-3-hydroxy-3-phenyl-4-(trimethylsilylmethylidene)cyclopentane-1,1-dicarboxylate
CID 102193466
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 1-phenylcyclopent-2-ene-1-carboxylate
CID 10420867
ethyl 2-fluoro-3-methyl-3-phenyloxirane-2-carboxylate
CID 102173659
ethyl 1-(4-bromophenyl)-2,2-difluorocyclopropane-1-carboxylate
CID 167107798
ethyl 2-ethyl-1-phenylcyclopropane-1-carboxylate
CID 13245327
ethyl (4aS,7aR)-7a-hydroxy-3,3-diphenyl-4,5,6,7-tetrahydrocyclopenta[c][1,2]dioxine-4a-carboxylate
CID 10067601
ethyl 3-phenyl-1,4-dihydroisochromene-3-carboxylate
CID 102046505

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate (CID 132516898) is trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate is CCOC(=O)[C@@]1(c2ccccc2)C[C@@]1(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate?
The InChIKey is KYIYRWWCSNYNBW-SFTDATJTSA-N. The full InChI is InChI=1S/C21H26O2Si/c1-5-23-19(22)20(17-12-8-6-9-13-17)16-21(20,24(2,3)4)18-14-10-7-11-15-18/h6-15H,5,16H2,1-4H3/t20-,21-/m0/s1.
What are the key properties of trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate has a molecular weight of 338.52 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-1,2-diphenyl-2-trimethylsilylcyclopropane-1-carboxylate is sourced from PubChem (CID 132516898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).