tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate

C29H41NO3Si — CID 135072708

IUPACtert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C29H41NO3Si/c1-9-21-30(27(31)33-28(3,4)5)23-24(2)20-22-32-34(29(6,7)8,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h9-19H,1-2,20-23H2,3-8H3
InChIKeyUSHNKGSWLLJLMD-UHFFFAOYSA-N
MW479.74 g/mol
LogP5.93
Rot. Bonds10

About tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate

tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate (PubChem CID 135072708) has the molecular formula C29H41NO3Si and a molecular weight of 479.74 g/mol. Its IUPAC name is tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate
PubChem CID135072708
Molecular FormulaC29H41NO3Si
Molecular Weight479.74 g/mol
Exact Mass479.29
IUPAC Nametert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CC(=C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C29H41NO3Si/c1-9-21-30(27(31)33-28(3,4)5)23-24(2)20-22-32-34(29(6,7)8,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h9-19H,1-2,20-23H2,3-8H3
InChIKeyUSHNKGSWLLJLMD-UHFFFAOYSA-N
XLogP5.93
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.74
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-tert-butyl 2-((tert-butyldiphenylsilyloxy)methyl)-2,3-dihydro-1H-pyrrole-1-carboxylate
CID 13008516
Tert-butyl 4-(2-{[tert-butyldiphenylsilyl]oxy}ethyl)-4-fluoro-1-piperidinecarboxylate
CID 21096977
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-(fluoromethylidene)butyl]carbamate
CID 153556066
[4-[Tert-butyl(diphenyl)silyl]oxy-2-fluorobutyl]-methylcarbamic acid
CID 174056730
Tert-butyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidine-1-carboxylate
CID 11189879
ethyl N-[2-[(6R)-6-[tert-butyl(diphenyl)silyl]oxycyclohexen-1-yl]ethyl]-N-(1-ethoxy-2-methylpropyl)carbamate
CID 11215004
Tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2,5-dihydropyrrole-1-carboxylate
CID 11270902
methyl (3R,6R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 42612329
Tert-butyl 4-[2-[dimethyl(phenyl)silyl]hex-1-enylidene]piperidine-1-carboxylate
CID 44604030
tert-butyl (2S)-2-[(Z)-6-[tert-butyl(diphenyl)silyl]oxyhex-1-enyl]-5-ethoxypyrrolidine-1-carboxylate
CID 45103027
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-(4-oxobutyl)carbamate
CID 57327215
Tert-butyl 2-[methyl(diphenyl)silyl]pyrrolidine-1-carboxylate
CID 75153095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate (CID 135072708) is tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate is C=CCN(CC(=C)CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate?
The InChIKey is USHNKGSWLLJLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO3Si/c1-9-21-30(27(31)33-28(3,4)5)23-24(2)20-22-32-34(29(6,7)8,25-16-12-10-13-17-25)26-18-14-11-15-19-26/h9-19H,1-2,20-23H2,3-8H3.
What are the key properties of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate?
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate has a molecular weight of 479.74 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenebutyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 135072708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).