2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid

C24H35NO4Si — CID 68807400

IUPAC2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid
SMILESCC(C)N(CCOCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C24H35NO4Si/c1-20(2)25(23(26)27)16-17-28-18-19-29-30(24(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20H,16-19H2,1-5H3,(H,26,27)
InChIKeyTVYPYFRDYCGSRU-UHFFFAOYSA-N
MW429.63 g/mol
LogP3.97
Rot. Bonds10

About 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid

2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid (PubChem CID 68807400) has the molecular formula C24H35NO4Si and a molecular weight of 429.63 g/mol. Its IUPAC name is 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid
PubChem CID68807400
Molecular FormulaC24H35NO4Si
Molecular Weight429.63 g/mol
Exact Mass429.23
IUPAC Name2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid
SMILESCC(C)N(CCOCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C24H35NO4Si/c1-20(2)25(23(26)27)16-17-28-18-19-29-30(24(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20H,16-19H2,1-5H3,(H,26,27)
InChIKeyTVYPYFRDYCGSRU-UHFFFAOYSA-N
XLogP3.97
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.63
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid 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-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid?
The IUPAC name of 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid (CID 68807400) is 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid.
What is the SMILES notation for 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid?
The canonical SMILES for 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid is CC(C)N(CCOCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid?
The InChIKey is TVYPYFRDYCGSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO4Si/c1-20(2)25(23(26)27)16-17-28-18-19-29-30(24(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,20H,16-19H2,1-5H3,(H,26,27).
What are the key properties of 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid?
2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid has a molecular weight of 429.63 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethyl-propan-2-ylcarbamic acid is sourced from PubChem (CID 68807400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).