1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea

C32H50N2O2Si — CID 90099251

IUPAC1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H50N2O2Si/c1-5-6-19-26-33-31(35)34-27-20-11-9-7-8-10-12-21-28-36-37(32(2,3)4,29-22-15-13-16-23-29)30-24-17-14-18-25-30/h7-8,13-18,22-25H,5-6,9-12,19-21,26-28H2,1-4H3,(H2,33,34,35)/b8-7-
InChIKeyKRRNWINLLSMHTJ-FPLPWBNLSA-N
MW522.85 g/mol
LogP6.95
Rot. Bonds17

About 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea

1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea (PubChem CID 90099251) has the molecular formula C32H50N2O2Si and a molecular weight of 522.85 g/mol. Its IUPAC name is 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea.

Molecular Properties

Compound Name1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea
PubChem CID90099251
Molecular FormulaC32H50N2O2Si
Molecular Weight522.85 g/mol
Exact Mass522.36
IUPAC Name1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C32H50N2O2Si/c1-5-6-19-26-33-31(35)34-27-20-11-9-7-8-10-12-21-28-36-37(32(2,3)4,29-22-15-13-16-23-29)30-24-17-14-18-25-30/h7-8,13-18,22-25H,5-6,9-12,19-21,26-28H2,1-4H3,(H2,33,34,35)/b8-7-
InChIKeyKRRNWINLLSMHTJ-FPLPWBNLSA-N
XLogP6.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.85
LogP ≤ 56.95
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea?
The IUPAC name of 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea (CID 90099251) is 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea.
What is the SMILES notation for 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea?
The canonical SMILES for 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea is CCCCCNC(=O)NCCCC/C=C\CCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea?
The InChIKey is KRRNWINLLSMHTJ-FPLPWBNLSA-N. The full InChI is InChI=1S/C32H50N2O2Si/c1-5-6-19-26-33-31(35)34-27-20-11-9-7-8-10-12-21-28-36-37(32(2,3)4,29-22-15-13-16-23-29)30-24-17-14-18-25-30/h7-8,13-18,22-25H,5-6,9-12,19-21,26-28H2,1-4H3,(H2,33,34,35)/b8-7-.
What are the key properties of 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea?
1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea has a molecular weight of 522.85 g/mol, XLogP of 6.95, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea is sourced from PubChem (CID 90099251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).