ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate

C16H24O3Si — CID 12859642

IUPACethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(O[Si](C)(C)C)C1(C)c1ccccc1
InChIInChI=1S/C16H24O3Si/c1-6-18-15(17)13-14(19-20(3,4)5)16(13,2)12-10-8-7-9-11-12/h7-11,13-14H,6H2,1-5H3
InChIKeyNIIUNEXMUAOKMX-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.36
Rot. Bonds5

About ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate

ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate (PubChem CID 12859642) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate
PubChem CID12859642
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Nameethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(O[Si](C)(C)C)C1(C)c1ccccc1
InChIInChI=1S/C16H24O3Si/c1-6-18-15(17)13-14(19-20(3,4)5)16(13,2)12-10-8-7-9-11-12/h7-11,13-14H,6H2,1-5H3
InChIKeyNIIUNEXMUAOKMX-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 125469612
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CID 121371274
cis-ethyl (1R,2S)-2-acetyl-2-phenylcyclopropane-1-carboxylate
CID 90361588
trans-diethyl (1S,2S)-3-phenyl-3-piperidin-1-ylcyclopropane-1,2-dicarboxylate
CID 102389050
diethyl (2R,3S)-2-phenyloxirane-2,3-dicarboxylate
CID 132536299
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CID 11024568
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CID 25213167
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CID 101355084
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CID 10891723
ethyl (3R,4R)-4-methyl-4-phenylpyrrolidine-3-carboxylate
CID 97357628
cis-ethyl (1R,2R)-2-fluoro-2-phenylcyclopropane-1-carboxylate;methane
CID 158468057
trans-ethyl (1R,3R)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate (CID 12859642) is ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate is CCOC(=O)C1C(O[Si](C)(C)C)C1(C)c1ccccc1.
What is the InChIKey of ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate?
The InChIKey is NIIUNEXMUAOKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-6-18-15(17)13-14(19-20(3,4)5)16(13,2)12-10-8-7-9-11-12/h7-11,13-14H,6H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate?
ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate has a molecular weight of 292.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-phenyl-3-trimethylsilyloxycyclopropane-1-carboxylate is sourced from PubChem (CID 12859642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).