ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate

C29H34O4SSi — CID 11785457

IUPACethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)c2ccccc2)CC1C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H34O4SSi/c1-5-33-27(30)29(34(31,32)24-15-9-6-10-16-24)21-23(29)22-35(28(2,3)4,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23H,5,21-22H2,1-4H3
InChIKeyHYQLDXDDUFFPLW-UHFFFAOYSA-N
MW506.74 g/mol
LogP4.85
Rot. Bonds8

About ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate

ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate (PubChem CID 11785457) has the molecular formula C29H34O4SSi and a molecular weight of 506.74 g/mol. Its IUPAC name is ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate
PubChem CID11785457
Molecular FormulaC29H34O4SSi
Molecular Weight506.74 g/mol
Exact Mass506.19
IUPAC Nameethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)c2ccccc2)CC1C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C29H34O4SSi/c1-5-33-27(30)29(34(31,32)24-15-9-6-10-16-24)21-23(29)22-35(28(2,3)4,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23H,5,21-22H2,1-4H3
InChIKeyHYQLDXDDUFFPLW-UHFFFAOYSA-N
XLogP4.85
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.74
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-2-(2-methylbutanoyloxy)ethanesulfonate;methane;triphenylsulfanium
CID 159140420
Ethyl 1-(benzenesulfonyl)-2-ethenylcyclopropane-1-carboxylate
CID 10039308
ethyl (E)-6-(benzenesulfonyl)-4-[[dimethyl(phenyl)silyl]methyl]hex-5-enoate
CID 53304615
ethyl 1-(benzenesulfonyl)-2-[(1E)-buta-1,3-dienyl]cyclopropane-1-carboxylate
CID 134872793
ethyl 1-(benzenesulfonyl)-2-[(1E)-3-methylbuta-1,3-dienyl]cyclopropane-1-carboxylate
CID 134872794
ethyl 1-(benzenesulfonyl)-2-[(1E)-3-phenylbuta-1,3-dienyl]cyclopropane-1-carboxylate
CID 134872906
(3S,5S)-3-(benzenesulfonyl)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 10481389
2-[1-(Benzenesulfonyl)-2-methylcyclopropanecarbonyl]oxyethyl 1-(benzenesulfonyl)-2-methylcyclopropane-1-carboxylate
CID 118199254
Tert-butyl 1-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]sulfonylcyclopropane-1-carboxylate
CID 156678593
methyl (2S,3S)-2-(benzenesulfinylmethyl)-3-[dimethyl(phenyl)silyl]butanoate
CID 9976718
methyl (2R,3S)-2-(benzenesulfinylmethyl)-3-[dimethyl(phenyl)silyl]butanoate
CID 10474568
trans-ethyl (1S,2S)-1-(4-methylphenyl)sulfonyl-2-[(S)-phenylselanyl(trimethylsilyl)methyl]cyclopropane-1-carboxylate
CID 10673257

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate (CID 11785457) is ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1(S(=O)(=O)c2ccccc2)CC1C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate?
The InChIKey is HYQLDXDDUFFPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34O4SSi/c1-5-33-27(30)29(34(31,32)24-15-9-6-10-16-24)21-23(29)22-35(28(2,3)4,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23H,5,21-22H2,1-4H3.
What are the key properties of ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate?
ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate has a molecular weight of 506.74 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(benzenesulfonyl)-2-[[tert-butyl(diphenyl)silyl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 11785457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).