1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea

C33H52N2O2Si — CID 123521659

IUPAC1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCCC=CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52N2O2Si/c1-5-6-20-27-34-32(36)35-28-21-12-10-8-7-9-11-13-22-29-37-38(33(2,3)4,30-23-16-14-17-24-30)31-25-18-15-19-26-31/h7-8,14-19,23-26H,5-6,9-13,20-22,27-29H2,1-4H3,(H2,34,35,36)
InChIKeyHUXDBQOLXSFUSA-UHFFFAOYSA-N
MW536.88 g/mol
LogP7.34
Rot. Bonds18

About 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea

1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea (PubChem CID 123521659) has the molecular formula C33H52N2O2Si and a molecular weight of 536.88 g/mol. Its IUPAC name is 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea.

Molecular Properties

Compound Name1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea
PubChem CID123521659
Molecular FormulaC33H52N2O2Si
Molecular Weight536.88 g/mol
Exact Mass536.38
IUPAC Name1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCCC=CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C33H52N2O2Si/c1-5-6-20-27-34-32(36)35-28-21-12-10-8-7-9-11-13-22-29-37-38(33(2,3)4,30-23-16-14-17-24-30)31-25-18-15-19-26-31/h7-8,14-19,23-26H,5-6,9-13,20-22,27-29H2,1-4H3,(H2,34,35,36)
InChIKeyHUXDBQOLXSFUSA-UHFFFAOYSA-N
XLogP7.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.88
LogP ≤ 57.34
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'}

Analyze 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-Tert-butyldiphenylsilyloxyhexyl)uracil
CID 11633797
[(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
1,3-bis[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]urea
CID 59032210
6-[Tert-butyl(diphenyl)silyl]oxyhexan-3-ylcarbamic acid
CID 68815833
1-hexadecan-2-yl-3-[(E,2R,3R)-1-hydroxy-3-[2-[hydroxy(diphenyl)silyl]-2-methylpropyl]-6-methylheptadec-4-en-2-yl]urea
CID 70329447
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

Frequently Asked Questions

What is the IUPAC name of 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea?
The IUPAC name of 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea (CID 123521659) is 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea.
What is the SMILES notation for 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea?
The canonical SMILES for 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea is CCCCCNC(=O)NCCCCC=CCCCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea?
The InChIKey is HUXDBQOLXSFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52N2O2Si/c1-5-6-20-27-34-32(36)35-28-21-12-10-8-7-9-11-13-22-29-37-38(33(2,3)4,30-23-16-14-17-24-30)31-25-18-15-19-26-31/h7-8,14-19,23-26H,5-6,9-13,20-22,27-29H2,1-4H3,(H2,34,35,36).
What are the key properties of 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea?
1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea has a molecular weight of 536.88 g/mol, XLogP of 7.34, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[11-[tert-butyl(diphenyl)silyl]oxyundec-5-enyl]-3-pentylurea is sourced from PubChem (CID 123521659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).