methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate

C15H27NO3Si — CID 11120045

IUPACmethyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate
SMILESC=CCN(/C=C/C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H27NO3Si/c1-9-11-16(14(17)18-6)12-10-13(2)19-20(7,8)15(3,4)5/h9-10,12H,1-2,11H2,3-8H3/b12-10+
InChIKeyHCMXNSSAJRVNFN-ZRDIBKRKSA-N
MW297.47 g/mol
LogP4.29
Rot. Bonds6

About methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate

methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate (PubChem CID 11120045) has the molecular formula C15H27NO3Si and a molecular weight of 297.47 g/mol. Its IUPAC name is methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Namemethyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate
PubChem CID11120045
Molecular FormulaC15H27NO3Si
Molecular Weight297.47 g/mol
Exact Mass297.18
IUPAC Namemethyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate
SMILESC=CCN(/C=C/C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C15H27NO3Si/c1-9-11-16(14(17)18-6)12-10-13(2)19-20(7,8)15(3,4)5/h9-10,12H,1-2,11H2,3-8H3/b12-10+
InChIKeyHCMXNSSAJRVNFN-ZRDIBKRKSA-N
XLogP4.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(E)-3-oxobut-1-enyl]-N-prop-2-enylcarbamate
CID 11356552
methyl N-methyl-N-prop-2-enylcarbamate
CID 116657055
tert-butyl-[(1Z,3Z)-1-methoxyhepta-1,3,6-trienoxy]-dimethylsilane
CID 155930352
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
tert-butyl-(5,5-dimethoxypenta-1,4-dien-2-yloxy)-dimethylsilane
CID 102083309
methyl N-[(1S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-formyl-6-methylcyclohex-2-en-1-yl]-N-prop-2-enylcarbamate
CID 101073438
methyl (E)-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]prop-2-enoate
CID 101189531
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]prop-2-enoate
CID 10728810
tert-butyl N-[4-[tert-butyl(dimethyl)silyl]oxybut-2-ynoxy]-N-prop-2-enylcarbamate
CID 11405579
[(E)-3-oxobut-1-enyl] N-tert-butyl-N-prop-2-enylcarbamate
CID 177106046
[tert-butyl(dimethyl)silyl] (E)-4,4-dimethyl-5-methylsulfanylpent-2-enoate
CID 11087474

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate?
The IUPAC name of methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate (CID 11120045) is methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate?
The canonical SMILES for methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate is C=CCN(/C=C/C(=C)O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate?
The InChIKey is HCMXNSSAJRVNFN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H27NO3Si/c1-9-11-16(14(17)18-6)12-10-13(2)19-20(7,8)15(3,4)5/h9-10,12H,1-2,11H2,3-8H3/b12-10+.
What are the key properties of methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate?
methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate has a molecular weight of 297.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1E)-3-[tert-butyl(dimethyl)silyl]oxybuta-1,3-dienyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 11120045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).