[2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate

C28H43NO4Si — CID 71458951

IUPAC[2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCC(OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-6-7-8-9-10-17-22-29-27(30)32-23-26(31-5)33-34(28(2,3)4,24-18-13-11-14-19-24)25-20-15-12-16-21-25/h11-16,18-21,26H,6-10,17,22-23H2,1-5H3,(H,29,30)
InChIKeyFAQROORDHIPZBC-UHFFFAOYSA-N
MW485.74 g/mol
LogP5.62
Rot. Bonds14

About [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate

[2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate (PubChem CID 71458951) has the molecular formula C28H43NO4Si and a molecular weight of 485.74 g/mol. Its IUPAC name is [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate.

Molecular Properties

Compound Name[2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate
PubChem CID71458951
Molecular FormulaC28H43NO4Si
Molecular Weight485.74 g/mol
Exact Mass485.30
IUPAC Name[2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate
SMILESCCCCCCCCNC(=O)OCC(OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-6-7-8-9-10-17-22-29-27(30)32-23-26(31-5)33-34(28(2,3)4,24-18-13-11-14-19-24)25-20-15-12-16-21-25/h11-16,18-21,26H,6-10,17,22-23H2,1-5H3,(H,29,30)
InChIKeyFAQROORDHIPZBC-UHFFFAOYSA-N
XLogP5.62
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.74
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate?
The IUPAC name of [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate (CID 71458951) is [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate.
What is the SMILES notation for [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate?
The canonical SMILES for [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate is CCCCCCCCNC(=O)OCC(OC)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate?
The InChIKey is FAQROORDHIPZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43NO4Si/c1-6-7-8-9-10-17-22-29-27(30)32-23-26(31-5)33-34(28(2,3)4,24-18-13-11-14-19-24)25-20-15-12-16-21-25/h11-16,18-21,26H,6-10,17,22-23H2,1-5H3,(H,29,30).
What are the key properties of [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate?
[2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate has a molecular weight of 485.74 g/mol, XLogP of 5.62, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl(diphenyl)silyl]oxy-2-methoxyethyl] N-octylcarbamate is sourced from PubChem (CID 71458951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).