2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate

C27H51NO5Si2 — CID 91749312

About 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate

2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate (PubChem CID 91749312) has the molecular formula C27H51NO5Si2 and a molecular weight of 525.88 g/mol. Its IUPAC name is 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate.

Molecular Properties

• Compound Name: 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate
• PubChem CID: 91749312
• Molecular Formula: C27H51NO5Si2
• Molecular Weight: 525.88 g/mol
• Exact Mass: 525.33
• IUPAC Name: 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate
• SMILES: COc1cc(C(CN(C)C(=O)OCC(C)C)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H51NO5Si2/c1-20(2)19-31-25(29)28(9)18-24(33-35(13,14)27(6,7)8)21-15-16-22(23(17-21)30-10)32-34(11,12)26(3,4)5/h15-17,20,24H,18-19H2,1-14H3
• InChIKey: AJXZZQAJAMFCDW-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.88
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate?

The IUPAC name of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate (CID 91749312) is 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate.

What is the SMILES notation for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate?

The canonical SMILES for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate is COc1cc(C(CN(C)C(=O)OCC(C)C)O[Si](C)(C)C(C)(C)C)ccc1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate?

The InChIKey is AJXZZQAJAMFCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO5Si2/c1-20(2)19-31-25(29)28(9)18-24(33-35(13,14)27(6,7)8)21-15-16-22(23(17-21)30-10)32-34(11,12)26(3,4)5/h15-17,20,24H,18-19H2,1-14H3.

What are the key properties of 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate?

2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate has a molecular weight of 525.88 g/mol, XLogP of 7.87, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl N-[2-[tert-butyl(dimethyl)silyl]oxy-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]ethyl]-N-methylcarbamate is sourced from PubChem (CID 91749312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).