1-(tert-butylamino)propyl trimethoxy silicate

C₁₀H₂₅NO₇Si — CID 174742831

About 1-(tert-butylamino)propyl trimethoxy silicate

1-(tert-butylamino)propyl trimethoxy silicate (PubChem CID 174742831) has the molecular formula C₁₀H₂₅NO₇Si and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(tert-butylamino)propyl trimethoxy silicate.

Molecular Properties

• Compound Name: 1-(tert-butylamino)propyl trimethoxy silicate
• PubChem CID: 174742831
• Molecular Formula: C₁₀H₂₅NO₇Si
• Molecular Weight: 299.40 g/mol
• Exact Mass: 299.14
• IUPAC Name: 1-(tert-butylamino)propyl trimethoxy silicate
• SMILES: CCC(NC(C)(C)C)O[Si](OOC)(OOC)OOC
• InChI: InChI=1S/C10H25NO7Si/c1-8-9(11-10(2,3)4)15-19(16-12-5,17-13-6)18-14-7/h9,11H,8H2,1-7H3
• InChIKey: FRKGOEGPULQVQE-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 76.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.40
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)propyl trimethoxy silicate?

The IUPAC name of 1-(tert-butylamino)propyl trimethoxy silicate (CID 174742831) is 1-(tert-butylamino)propyl trimethoxy silicate.

What is the SMILES notation for 1-(tert-butylamino)propyl trimethoxy silicate?

The canonical SMILES for 1-(tert-butylamino)propyl trimethoxy silicate is CCC(NC(C)(C)C)O[Si](OOC)(OOC)OOC.

What is the InChIKey of 1-(tert-butylamino)propyl trimethoxy silicate?

The InChIKey is FRKGOEGPULQVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NO7Si/c1-8-9(11-10(2,3)4)15-19(16-12-5,17-13-6)18-14-7/h9,11H,8H2,1-7H3.

What are the key properties of 1-(tert-butylamino)propyl trimethoxy silicate?

1-(tert-butylamino)propyl trimethoxy silicate has a molecular weight of 299.40 g/mol, XLogP of 1.30, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(tert-butylamino)propyl trimethoxy silicate is sourced from PubChem (CID 174742831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174742831 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.