tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate

C22H29NO2Si — CID 135050531

IUPACtert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate
SMILESC=CCCN(C(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-6-7-18-23(21(24)25-22(2,3)4)26(5,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h6,8-17H,1,7,18H2,2-5H3
InChIKeyKTIBALIUBGCFGN-UHFFFAOYSA-N
MW367.57 g/mol
LogP4.19
Rot. Bonds6

About tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate

tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate (PubChem CID 135050531) has the molecular formula C22H29NO2Si and a molecular weight of 367.57 g/mol. Its IUPAC name is tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate
PubChem CID135050531
Molecular FormulaC22H29NO2Si
Molecular Weight367.57 g/mol
Exact Mass367.20
IUPAC Nametert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate
SMILESC=CCCN(C(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H29NO2Si/c1-6-7-18-23(21(24)25-22(2,3)4)26(5,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h6,8-17H,1,7,18H2,2-5H3
InChIKeyKTIBALIUBGCFGN-UHFFFAOYSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 54.19
H-Bond Donors ≤ 50
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-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate?
The IUPAC name of tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate (CID 135050531) is tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate.
What is the SMILES notation for tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate?
The canonical SMILES for tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate is C=CCCN(C(=O)OC(C)(C)C)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate?
The InChIKey is KTIBALIUBGCFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2Si/c1-6-7-18-23(21(24)25-22(2,3)4)26(5,19-14-10-8-11-15-19)20-16-12-9-13-17-20/h6,8-17H,1,7,18H2,2-5H3.
What are the key properties of tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate?
tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate has a molecular weight of 367.57 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-but-3-enyl-N-[methyl(diphenyl)silyl]carbamate is sourced from PubChem (CID 135050531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).