tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate

C17H27NO2Si — CID 18469697

IUPACtert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate
SMILESC=CC[Si](C)(C)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2Si/c1-7-12-21(5,6)15-10-8-14(9-11-15)13-18-16(19)20-17(2,3)4/h7-11H,1,12-13H2,2-6H3,(H,18,19)
InChIKeyDBMRUJYKRAAZSE-UHFFFAOYSA-N
MW305.49 g/mol
LogP3.81
Rot. Bonds5

About tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate

tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate (PubChem CID 18469697) has the molecular formula C17H27NO2Si and a molecular weight of 305.49 g/mol. Its IUPAC name is tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate
PubChem CID18469697
Molecular FormulaC17H27NO2Si
Molecular Weight305.49 g/mol
Exact Mass305.18
IUPAC Nametert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate
SMILESC=CC[Si](C)(C)c1ccc(CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H27NO2Si/c1-7-12-21(5,6)15-10-8-14(9-11-15)13-18-16(19)20-17(2,3)4/h7-11H,1,12-13H2,2-6H3,(H,18,19)
InChIKeyDBMRUJYKRAAZSE-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate (CID 18469697) is tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate is C=CC[Si](C)(C)c1ccc(CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate?
The InChIKey is DBMRUJYKRAAZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2Si/c1-7-12-21(5,6)15-10-8-14(9-11-15)13-18-16(19)20-17(2,3)4/h7-11H,1,12-13H2,2-6H3,(H,18,19).
What are the key properties of tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate?
tert-butyl N-[[4-[dimethyl(prop-2-enyl)silyl]phenyl]methyl]carbamate has a molecular weight of 305.49 g/mol, XLogP of 3.81, 5 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(prop-2-enyl)silyl]phenyl]methyl]carbamate is sourced from PubChem (CID 18469697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).