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

C32H50N2O2Si — CID 123935694

IUPAC1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCCC=CCCCCO[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)
InChIKeyKRRNWINLLSMHTJ-UHFFFAOYSA-N
MW522.85 g/mol
LogP6.95
Rot. Bonds17

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

1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea (PubChem CID 123935694) has the molecular formula C32H50N2O2Si and a molecular weight of 522.85 g/mol. Its IUPAC name is 1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea.

Molecular Properties

Compound Name1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea
PubChem CID123935694
Molecular FormulaC32H50N2O2Si
Molecular Weight522.85 g/mol
Exact Mass522.36
IUPAC Name1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCCC=CCCCCO[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)
InChIKeyKRRNWINLLSMHTJ-UHFFFAOYSA-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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Related Compounds

[(1R,3S)-4-[tert-butyl(diphenyl)silyl]oxy-1-fluoro-2,3-dimethylbutyl]urea
CID 173560744
3-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea
CID 22900736
1-(2-{[tert-Butyl(diphenyl)silyl]oxy}ethyl)tetrahydropyrimidin-2(1H)-one
CID 58834682
1-[(Z)-13-[tert-butyl(diphenyl)silyl]oxytridec-5-enyl]-3-pentylurea
CID 70819403
1-[(Z)-13-[hydroxy(diphenyl)silyl]-13-methyltetradec-5-enyl]-3-pentylurea
CID 70854997
1-[(Z)-15-[hydroxy(diphenyl)silyl]-15-methylhexadec-5-enyl]-3-pentylurea
CID 70855145
1-[7-[Hydroxy(diphenyl)silyl]-7-methyloctyl]-3-pentylurea
CID 70855147
1-[(Z)-12-[hydroxy(diphenyl)silyl]-12-methyltridec-5-enyl]-3-pentylurea
CID 70855155
1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea
CID 70855200
1-[13-[Tert-butyl(diphenyl)silyl]oxytridec-5-enyl]-3-pentylurea
CID 77928422
N1-n-butyl-N2-(5-(tert-butyldiphenylsilyloxy)pentyl)oxalamide
CID 86716476
1-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-3-pentylurea
CID 90098409

Frequently Asked Questions

What is the IUPAC name of 1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea?
The IUPAC name of 1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea (CID 123935694) is 1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea.
What is the SMILES notation for 1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea?
The canonical SMILES for 1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea is CCCCCNC(=O)NCCCCC=CCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea?
The InChIKey is KRRNWINLLSMHTJ-UHFFFAOYSA-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).
What are the key properties of 1-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea?
1-[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-[10-[tert-butyl(diphenyl)silyl]oxydec-5-enyl]-3-pentylurea is sourced from PubChem (CID 123935694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).