trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate

C16H24O2Si — CID 15191651

IUPACtrans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C([Si](C)(C)C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C16H24O2Si/c1-6-18-16(17)14-13(15(14)19(3,4)5)12-9-7-11(2)8-10-12/h7-10,13-15H,6H2,1-5H3/t13-,14-,15?/m1/s1
InChIKeyHTNDTLWXLCGHOI-GRKKQISMSA-N
MW276.45 g/mol
LogP3.98
Rot. Bonds4

About trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate

trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate (PubChem CID 15191651) has the molecular formula C16H24O2Si and a molecular weight of 276.45 g/mol. Its IUPAC name is trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate
PubChem CID15191651
Molecular FormulaC16H24O2Si
Molecular Weight276.45 g/mol
Exact Mass276.15
IUPAC Nametrans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate
SMILESCCOC(=O)[C@H]1C([Si](C)(C)C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C16H24O2Si/c1-6-18-16(17)14-13(15(14)19(3,4)5)12-9-7-11(2)8-10-12/h7-10,13-15H,6H2,1-5H3/t13-,14-,15?/m1/s1
InChIKeyHTNDTLWXLCGHOI-GRKKQISMSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 53.98
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

diethyl (1R,2S,3R,4S)-3,4-diphenylcyclobutane-1,2-dicarboxylate
CID 15261796
dimethyl 2-(4-aminophenyl)-4-(4-methylphenyl)cyclobutane-1,3-dicarboxylate
CID 130368600
ethyl (1R,2R,3R)-2-(4-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 90209349
ethyl 2-methoxy-3-phenylcyclopropane-1-carboxylate
CID 13065907
ethyl (4R,5R)-5-(4-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 135006500
methyl (1S,2S,3R)-2-(4-methylphenyl)-3-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 10637132
diethyl (1R,2S,3S,4R)-4-hydroxy-4-methyl-2-(4-methylphenyl)-6-oxocyclohexane-1,3-dicarboxylate
CID 1083480
ethyl 2-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718690
ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
CID 77467095
tetrakis(ethyl 2-[3-hydroxy-2-(4-methylphenyl)cyclopentyl]acetate);tetrakis(2-[3-hydroxy-2-(4-methylphenyl)cyclopentyl]acetic acid)
CID 159686350
ethyl 3-(4-methylphenyl)-5H-1,2,4-oxathiazole-5-carboxylate
CID 68556871
ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718704

Frequently Asked Questions

What is the IUPAC name of trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate?
The IUPAC name of trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate (CID 15191651) is trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate.
What is the SMILES notation for trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate?
The canonical SMILES for trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate is CCOC(=O)[C@H]1C([Si](C)(C)C)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate?
The InChIKey is HTNDTLWXLCGHOI-GRKKQISMSA-N. The full InChI is InChI=1S/C16H24O2Si/c1-6-18-16(17)14-13(15(14)19(3,4)5)12-9-7-11(2)8-10-12/h7-10,13-15H,6H2,1-5H3/t13-,14-,15?/m1/s1.
What are the key properties of trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate?
trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate has a molecular weight of 276.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-ethyl (1S,2S)-2-(4-methylphenyl)-3-trimethylsilylcyclopropane-1-carboxylate is sourced from PubChem (CID 15191651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).