methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate

C30H37NO5SSi — CID 132942378

IUPACmethyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate
SMILESCOC(=O)N(C/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H37NO5SSi/c1-25-19-21-26(22-20-25)37(33,34)31(29(32)35-5)23-13-8-14-24-36-38(30(2,3)4,27-15-9-6-10-16-27)28-17-11-7-12-18-28/h6-13,15-22H,14,23-24H2,1-5H3/b13-8+
InChIKeyUWLKZWBAVVDVTP-MDWZMJQESA-N
MW551.78 g/mol
LogP5.28
Rot. Bonds10

About methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate

methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate (PubChem CID 132942378) has the molecular formula C30H37NO5SSi and a molecular weight of 551.78 g/mol. Its IUPAC name is methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate
PubChem CID132942378
Molecular FormulaC30H37NO5SSi
Molecular Weight551.78 g/mol
Exact Mass551.22
IUPAC Namemethyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate
SMILESCOC(=O)N(C/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C30H37NO5SSi/c1-25-19-21-26(22-20-25)37(33,34)31(29(32)35-5)23-13-8-14-24-36-38(30(2,3)4,27-15-9-6-10-16-27)28-17-11-7-12-18-28/h6-13,15-22H,14,23-24H2,1-5H3/b13-8+
InChIKeyUWLKZWBAVVDVTP-MDWZMJQESA-N
XLogP5.28
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.78
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[tert-butyl(diphenyl)silyl]oxypropyl 4-methylbenzenesulfonate
CID 14616924
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054
N-[(E,3S)-5-[tert-butyl(diphenyl)silyl]oxy-1-phenylpent-1-en-3-yl]-4-methylbenzenesulfonamide
CID 101455227
dimethyl (2R)-2-[(E)-6-[tert-butyl(diphenyl)silyl]oxyhex-3-enyl]-2-[(Z)-3-[(4-nitrophenyl)sulfonylamino]prop-1-enyl]butanedioate
CID 16664048
methyl (5S,6E,8Z)-5,11-bis[[tert-butyl(diphenyl)silyl]oxy]undeca-6,8-dienoate
CID 15462043
ethyl (E)-13-[tert-butyl(diphenyl)silyl]oxytridec-2-enoate
CID 169097971
[6-[tert-butyl(diphenyl)silyl]oxy-2-methylhexan-3-yl] 4-methylbenzenesulfonate
CID 59759753
(Z)-4-[(4S,5S)-5-[(Z)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 122386118
tert-butyl-[[(2R,4S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-(4-methylphenyl)sulfonylazetidin-2-yl]methoxy]-diphenylsilane
CID 59052953
methyl (E)-7-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-enoate
CID 10319406
[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl] 4-methylbenzenesulfonate
CID 14446829
methyl (Z)-5-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoate
CID 10596129

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate?
The IUPAC name of methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate (CID 132942378) is methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate.
What is the SMILES notation for methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate?
The canonical SMILES for methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate is COC(=O)N(C/C=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate?
The InChIKey is UWLKZWBAVVDVTP-MDWZMJQESA-N. The full InChI is InChI=1S/C30H37NO5SSi/c1-25-19-21-26(22-20-25)37(33,34)31(29(32)35-5)23-13-8-14-24-36-38(30(2,3)4,27-15-9-6-10-16-27)28-17-11-7-12-18-28/h6-13,15-22H,14,23-24H2,1-5H3/b13-8+.
What are the key properties of methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate?
methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate has a molecular weight of 551.78 g/mol, XLogP of 5.28, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-5-[tert-butyl(diphenyl)silyl]oxypent-2-enyl]-N-(4-methylphenyl)sulfonylcarbamate is sourced from PubChem (CID 132942378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).