tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate

C20H40N2O4Si — CID 59271881

IUPACtert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate
SMILESCOC(C)(CCC(C#N)N(C)C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40N2O4Si/c1-18(2,3)26-17(23)22(8)16(14-21)12-13-20(7,24-9)15-25-27(10,11)19(4,5)6/h16H,12-13,15H2,1-11H3
InChIKeyYOGSYQJRZIYYSP-UHFFFAOYSA-N
MW400.64 g/mol
LogP4.95
Rot. Bonds8

About tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate

tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate (PubChem CID 59271881) has the molecular formula C20H40N2O4Si and a molecular weight of 400.64 g/mol. Its IUPAC name is tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate
PubChem CID59271881
Molecular FormulaC20H40N2O4Si
Molecular Weight400.64 g/mol
Exact Mass400.28
IUPAC Nametert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate
SMILESCOC(C)(CCC(C#N)N(C)C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40N2O4Si/c1-18(2,3)26-17(23)22(8)16(14-21)12-13-20(7,24-9)15-25-27(10,11)19(4,5)6/h16H,12-13,15H2,1-11H3
InChIKeyYOGSYQJRZIYYSP-UHFFFAOYSA-N
XLogP4.95
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.64
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate (CID 59271881) is tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate is COC(C)(CCC(C#N)N(C)C(=O)OC(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate?
The InChIKey is YOGSYQJRZIYYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O4Si/c1-18(2,3)26-17(23)22(8)16(14-21)12-13-20(7,24-9)15-25-27(10,11)19(4,5)6/h16H,12-13,15H2,1-11H3.
What are the key properties of tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate?
tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate has a molecular weight of 400.64 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methoxy-4-methylpentyl]-N-methylcarbamate is sourced from PubChem (CID 59271881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).