tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate

C35H62N4O4Si — CID 90460875

About tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate

tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate (PubChem CID 90460875) has the molecular formula C35H62N4O4Si and a molecular weight of 630.99 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
• PubChem CID: 90460875
• Molecular Formula: C35H62N4O4Si
• Molecular Weight: 630.99 g/mol
• Exact Mass: 630.45
• IUPAC Name: tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate
• SMILES: CN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1=CCC(O[Si](C)(C)C(C)(C)C)C2(CCCCC2)C1
• InChI: InChI=1S/C35H62N4O4Si/c1-33(2,3)42-32(40)38(8)22-21-37(7)25-28-26-39(30-16-12-15-23-41-30)36-31(28)27-17-18-29(43-44(9,10)34(4,5)6)35(24-27)19-13-11-14-20-35/h17,26,29-30H,11-16,18-25H2,1-10H3
• InChIKey: CVBHWVGLAPWOGI-UHFFFAOYSA-N
• XLogP: 8.40
• TPSA: 69.06 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.99
LogP ≤ 5	8.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?

The IUPAC name of tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate (CID 90460875) is tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate.

What is the SMILES notation for tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?

The canonical SMILES for tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate is CN(CCN(C)C(=O)OC(C)(C)C)Cc1cn(C2CCCCO2)nc1C1=CCC(O[Si](C)(C)C(C)(C)C)C2(CCCCC2)C1.

What is the InChIKey of tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?

The InChIKey is CVBHWVGLAPWOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62N4O4Si/c1-33(2,3)42-32(40)38(8)22-21-37(7)25-28-26-39(30-16-12-15-23-41-30)36-31(28)27-17-18-29(43-44(9,10)34(4,5)6)35(24-27)19-13-11-14-20-35/h17,26,29-30H,11-16,18-25H2,1-10H3.

What are the key properties of tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate?

tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate has a molecular weight of 630.99 g/mol, XLogP of 8.40, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[3-[5-[tert-butyl(dimethyl)silyl]oxyspiro[5.5]undec-2-en-2-yl]-1-(oxan-2-yl)pyrazol-4-yl]methyl-methylamino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 90460875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).