tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate

C18H36N2O3Si — CID 18631427

IUPACtert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36N2O3Si/c1-13(2)11-14(20-16(21)22-17(3,4)5)15(12-19)23-24(9,10)18(6,7)8/h13-15H,11H2,1-10H3,(H,20,21)/t14-,15+/m0/s1
InChIKeyOVXKOHQQAIEFSV-LSDHHAIUSA-N
MW356.58 g/mol
LogP4.84
Rot. Bonds6

About tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate

tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate (PubChem CID 18631427) has the molecular formula C18H36N2O3Si and a molecular weight of 356.58 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
PubChem CID18631427
Molecular FormulaC18H36N2O3Si
Molecular Weight356.58 g/mol
Exact Mass356.25
IUPAC Nametert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C#N)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36N2O3Si/c1-13(2)11-14(20-16(21)22-17(3,4)5)15(12-19)23-24(9,10)18(6,7)8/h13-15H,11H2,1-10H3,(H,20,21)/t14-,15+/m0/s1
InChIKeyOVXKOHQQAIEFSV-LSDHHAIUSA-N
XLogP4.84
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.58
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate (CID 18631427) is tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C#N)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate?
The InChIKey is OVXKOHQQAIEFSV-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H36N2O3Si/c1-13(2)11-14(20-16(21)22-17(3,4)5)15(12-19)23-24(9,10)18(6,7)8/h13-15H,11H2,1-10H3,(H,20,21)/t14-,15+/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate?
tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate has a molecular weight of 356.58 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-cyano-4-methylpentan-2-yl]carbamate is sourced from PubChem (CID 18631427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).