1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea

C27H42N2O2Si — CID 90098789

IUPAC1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H42N2O2Si/c1-5-6-14-21-28-26(30)29-22-15-9-16-23-31-32(27(2,3)4,24-17-10-7-11-18-24)25-19-12-8-13-20-25/h7-8,10-13,17-20H,5-6,9,14-16,21-23H2,1-4H3,(H2,28,29,30)
InChIKeyZYWSWLDYCOXLFH-UHFFFAOYSA-N
MW454.73 g/mol
LogP5.22
Rot. Bonds13

About 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea

1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea (PubChem CID 90098789) has the molecular formula C27H42N2O2Si and a molecular weight of 454.73 g/mol. Its IUPAC name is 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea.

Molecular Properties

Compound Name1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea
PubChem CID90098789
Molecular FormulaC27H42N2O2Si
Molecular Weight454.73 g/mol
Exact Mass454.30
IUPAC Name1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H42N2O2Si/c1-5-6-14-21-28-26(30)29-22-15-9-16-23-31-32(27(2,3)4,24-17-10-7-11-18-24)25-19-12-8-13-20-25/h7-8,10-13,17-20H,5-6,9,14-16,21-23H2,1-4H3,(H2,28,29,30)
InChIKeyZYWSWLDYCOXLFH-UHFFFAOYSA-N
XLogP5.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.73
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea?
The IUPAC name of 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea (CID 90098789) is 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea.
What is the SMILES notation for 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea?
The canonical SMILES for 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea is CCCCCNC(=O)NCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea?
The InChIKey is ZYWSWLDYCOXLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O2Si/c1-5-6-14-21-28-26(30)29-22-15-9-16-23-31-32(27(2,3)4,24-17-10-7-11-18-24)25-19-12-8-13-20-25/h7-8,10-13,17-20H,5-6,9,14-16,21-23H2,1-4H3,(H2,28,29,30).
What are the key properties of 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea?
1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea has a molecular weight of 454.73 g/mol, XLogP of 5.22, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-3-pentylurea is sourced from PubChem (CID 90098789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).