[(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate

C20H33NO2Si — CID 10497875

IUPAC[(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O/C=C/C(c1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO2Si/c1-8-21(9-2)19(22)23-16-15-18(17-13-11-10-12-14-17)24(6,7)20(3,4)5/h10-16,18H,8-9H2,1-7H3/b16-15+
InChIKeyQOFMOEQSTWJRJX-FOCLMDBBSA-N
MW347.58 g/mol
LogP5.81
Rot. Bonds6

About [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate

[(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate (PubChem CID 10497875) has the molecular formula C20H33NO2Si and a molecular weight of 347.58 g/mol. Its IUPAC name is [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate
PubChem CID10497875
Molecular FormulaC20H33NO2Si
Molecular Weight347.58 g/mol
Exact Mass347.23
IUPAC Name[(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)O/C=C/C(c1ccccc1)[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H33NO2Si/c1-8-21(9-2)19(22)23-16-15-18(17-13-11-10-12-14-17)24(6,7)20(3,4)5/h10-16,18H,8-9H2,1-7H3/b16-15+
InChIKeyQOFMOEQSTWJRJX-FOCLMDBBSA-N
XLogP5.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.58
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate?
The IUPAC name of [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate (CID 10497875) is [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate.
What is the SMILES notation for [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate?
The canonical SMILES for [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate is CCN(CC)C(=O)O/C=C/C(c1ccccc1)[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate?
The InChIKey is QOFMOEQSTWJRJX-FOCLMDBBSA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-8-21(9-2)19(22)23-16-15-18(17-13-11-10-12-14-17)24(6,7)20(3,4)5/h10-16,18H,8-9H2,1-7H3/b16-15+.
What are the key properties of [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate?
[(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate has a molecular weight of 347.58 g/mol, XLogP of 5.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[tert-butyl(dimethyl)silyl]-3-phenylprop-1-enyl] N,N-diethylcarbamate is sourced from PubChem (CID 10497875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).