tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate

C18H29NO2Si — CID 10734411

IUPACtert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate
SMILESC/C=C(/CN(C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H29NO2Si/c1-8-15(14-19(5)17(20)21-18(2,3)4)22(6,7)16-12-10-9-11-13-16/h8-13H,14H2,1-7H3/b15-8-
InChIKeyNFIITHACMWGRGR-NVNXTCNLSA-N
MW319.52 g/mol
LogP3.95
Rot. Bonds4

About tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate

tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate (PubChem CID 10734411) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate
PubChem CID10734411
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC Nametert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate
SMILESC/C=C(/CN(C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H29NO2Si/c1-8-15(14-19(5)17(20)21-18(2,3)4)22(6,7)16-12-10-9-11-13-16/h8-13H,14H2,1-7H3/b15-8-
InChIKeyNFIITHACMWGRGR-NVNXTCNLSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate (CID 10734411) is tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate is C/C=C(/CN(C)C(=O)OC(C)(C)C)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate?
The InChIKey is NFIITHACMWGRGR-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-8-15(14-19(5)17(20)21-18(2,3)4)22(6,7)16-12-10-9-11-13-16/h8-13H,14H2,1-7H3/b15-8-.
What are the key properties of tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate?
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate has a molecular weight of 319.52 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-methylcarbamate is sourced from PubChem (CID 10734411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).