tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate

C17H25NO2Si — CID 11381145

IUPACtert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=C=C[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H25NO2Si/c1-17(2,3)20-16(19)18-13-9-10-14-21(4,5)15-11-7-6-8-12-15/h6-9,11-12,14H,13H2,1-5H3,(H,18,19)
InChIKeyTZJACMYQFXKZAV-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.38
Rot. Bonds4

About tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate

tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate (PubChem CID 11381145) has the molecular formula C17H25NO2Si and a molecular weight of 303.48 g/mol. Its IUPAC name is tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate
PubChem CID11381145
Molecular FormulaC17H25NO2Si
Molecular Weight303.48 g/mol
Exact Mass303.17
IUPAC Nametert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=C=C[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H25NO2Si/c1-17(2,3)20-16(19)18-13-9-10-14-21(4,5)15-11-7-6-8-12-15/h6-9,11-12,14H,13H2,1-5H3,(H,18,19)
InChIKeyTZJACMYQFXKZAV-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2E,4E,6E)-7-phenylhepta-2,4,6-trienyl]carbamate
CID 14395674
tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate
CID 18469697
(E)-N-t-Butoxycarbonyl-4-(tert-butyldiphenylsilanyloxy)-2-fluoro-2-butenylamine
CID 59029502
tert-butyl N-[(Z)-4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982746
tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-2-fluorobut-2-enyl]carbamate
CID 66982747
tert-butyl N-[(2S,3S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10760266
tert-butyl N-[(1S)-1-triphenylsilylprop-2-enyl]carbamate
CID 11373383
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
tert-butyl (2E,4E)-5-phenyl-2,4-pentadienylcarbamate
CID 14395670
tert-butyl N-[(2S)-3-methyl-1-phenylselanylbutan-2-yl]carbamate
CID 24874554
tert-butyl N-[(2S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 100997661
tert-butyl N-[methyl(diphenyl)silyl]-N-prop-2-enylcarbamate
CID 101251332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate?
The IUPAC name of tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate (CID 11381145) is tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate is CC(C)(C)OC(=O)NCC=C=C[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate?
The InChIKey is TZJACMYQFXKZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2Si/c1-17(2,3)20-16(19)18-13-9-10-14-21(4,5)15-11-7-6-8-12-15/h6-9,11-12,14H,13H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate?
tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate has a molecular weight of 303.48 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[dimethyl(phenyl)silyl]buta-2,3-dienyl]carbamate is sourced from PubChem (CID 11381145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).