tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate

C27H39NO3Si — CID 71489209

IUPACtert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
SMILESC=CCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO3Si/c1-8-9-20-28(25(29)31-26(2,3)4)21-22-30-32(27(5,6)7,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h8,10-19H,1,9,20-22H2,2-7H3
InChIKeyNDOJLDBIDCMAFT-UHFFFAOYSA-N
MW453.70 g/mol
LogP5.38
Rot. Bonds9

About tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate

tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate (PubChem CID 71489209) has the molecular formula C27H39NO3Si and a molecular weight of 453.70 g/mol. Its IUPAC name is tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
PubChem CID71489209
Molecular FormulaC27H39NO3Si
Molecular Weight453.70 g/mol
Exact Mass453.27
IUPAC Nametert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate
SMILESC=CCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C27H39NO3Si/c1-8-9-20-28(25(29)31-26(2,3)4)21-22-30-32(27(5,6)7,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h8,10-19H,1,9,20-22H2,2-7H3
InChIKeyNDOJLDBIDCMAFT-UHFFFAOYSA-N
XLogP5.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.70
LogP ≤ 55.38
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

tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-[2-(4-iodophenoxy)ethyl]carbamate
CID 53474073
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521
tert-butyl N-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-N-[4-hydroxy-4-[(1R,4R,6R)-4-methyl-2-oxo-6-prop-2-enylcyclohexyl]butyl]carbamate
CID 57327216
tert-butyl N-benzyl-N-pent-4-enylcarbamate
CID 15840242
[(1R)-1-phenylethyl] N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-N-propan-2-ylcarbamate
CID 11113721
12-[tert-butyl(diphenyl)silyl]oxydodec-1-en-6-ol
CID 168962199
tert-butyl (1S,2R,3R)-3-[bis[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]-2-hydroxycyclohexane-1-carboxylate
CID 46932889
2-[benzyl-[2-[tert-butyl(diphenyl)silyl]oxyethyl]amino]acetic acid
CID 67674409
2-[2-[2-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2-dimethylpent-4-enyl carbonate
CID 11388241
tert-butyl N-but-3-enyl-N-prop-2-enylcarbamate;ethene;methanamine
CID 142306508
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylmethoxyethyl)amino]ethyl]-N-(2-phenylmethoxyethyl)carbamate
CID 140972219
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate?
The IUPAC name of tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate (CID 71489209) is tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate is C=CCCN(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate?
The InChIKey is NDOJLDBIDCMAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO3Si/c1-8-9-20-28(25(29)31-26(2,3)4)21-22-30-32(27(5,6)7,23-16-12-10-13-17-23)24-18-14-11-15-19-24/h8,10-19H,1,9,20-22H2,2-7H3.
What are the key properties of tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate?
tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate has a molecular weight of 453.70 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enyl-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]carbamate is sourced from PubChem (CID 71489209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).