2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide

C27H61NO4Si3 — CID 173390415

About 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide

2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide (PubChem CID 173390415) has the molecular formula C27H61NO4Si3 and a molecular weight of 548.05 g/mol. Its IUPAC name is 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide.

Molecular Properties

• Compound Name: 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide
• PubChem CID: 173390415
• Molecular Formula: C27H61NO4Si3
• Molecular Weight: 548.05 g/mol
• Exact Mass: 547.39
• IUPAC Name: 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide
• SMILES: CCCC(C(N)=O)C(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H61NO4Si3/c1-17-18-22(23(28)29)27(19-30-33(11,12)24(2,3)4,20-31-34(13,14)25(5,6)7)21-32-35(15,16)26(8,9)10/h22H,17-21H2,1-16H3,(H2,28,29)
• InChIKey: RNDIWFJIJVAYBR-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 70.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.05
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide?

The IUPAC name of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide (CID 173390415) is 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide.

What is the SMILES notation for 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide?

The canonical SMILES for 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide is CCCC(C(N)=O)C(CO[Si](C)(C)C(C)(C)C)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide?

The InChIKey is RNDIWFJIJVAYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H61NO4Si3/c1-17-18-22(23(28)29)27(19-30-33(11,12)24(2,3)4,20-31-34(13,14)25(5,6)7)21-32-35(15,16)26(8,9)10/h22H,17-21H2,1-16H3,(H2,28,29).

What are the key properties of 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide?

2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide has a molecular weight of 548.05 g/mol, XLogP of 7.94, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propan-2-yl]pentanamide is sourced from PubChem (CID 173390415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).