1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea

C44H74N4O4Si — CID 157147139

IUPAC1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCO.CCCCCNC(=O)NCCCC/C=C\CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H46N2O2Si.C14H28N2O2/c1-5-6-17-24-31-29(33)32-25-18-9-7-8-10-19-26-34-35(30(2,3)4,27-20-13-11-14-21-27)28-22-15-12-16-23-28;1-2-3-8-11-15-14(18)16-12-9-6-4-5-7-10-13-17/h8,10-16,20-23H,5-7,9,17-19,24-26H2,1-4H3,(H2,31,32,33);5,7,17H,2-4,6,8-13H2,1H3,(H2,15,16,18)/b10-8-;7-5-
InChIKeyAKVKABIISUONNU-PHOPSGCESA-N
MW751.19 g/mol
LogP8.75
Rot. Bonds26

About 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea

1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea (PubChem CID 157147139) has the molecular formula C44H74N4O4Si and a molecular weight of 751.19 g/mol. Its IUPAC name is 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea.

Molecular Properties

Compound Name1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea
PubChem CID157147139
Molecular FormulaC44H74N4O4Si
Molecular Weight751.19 g/mol
Exact Mass750.55
IUPAC Name1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCO.CCCCCNC(=O)NCCCC/C=C\CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H46N2O2Si.C14H28N2O2/c1-5-6-17-24-31-29(33)32-25-18-9-7-8-10-19-26-34-35(30(2,3)4,27-20-13-11-14-21-27)28-22-15-12-16-23-28;1-2-3-8-11-15-14(18)16-12-9-6-4-5-7-10-13-17/h8,10-16,20-23H,5-7,9,17-19,24-26H2,1-4H3,(H2,31,32,33);5,7,17H,2-4,6,8-13H2,1H3,(H2,15,16,18)/b10-8-;7-5-
InChIKeyAKVKABIISUONNU-PHOPSGCESA-N
XLogP8.75
TPSA111.72 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.19
LogP ≤ 58.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-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

3-[2-[Tert-butyl(diphenyl)silyl]oxyethyl]-1-hydroxy-1-methylurea
CID 22900736
1-[(E,2S,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyoctadec-4-en-2-yl]-3-hexadecylurea
CID 59866706
4-[[1-[Tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]carbamoylamino]piperidine-1-carboxylic acid
CID 68567946
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
1-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-3-pentylurea
CID 90098409
1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea
CID 90098464

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea?
The IUPAC name of 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea (CID 157147139) is 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea.
What is the SMILES notation for 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea?
The canonical SMILES for 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea is CCCCCNC(=O)NCCCC/C=C\CCO.CCCCCNC(=O)NCCCC/C=C\CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea?
The InChIKey is AKVKABIISUONNU-PHOPSGCESA-N. The full InChI is InChI=1S/C30H46N2O2Si.C14H28N2O2/c1-5-6-17-24-31-29(33)32-25-18-9-7-8-10-19-26-34-35(30(2,3)4,27-20-13-11-14-21-27)28-22-15-12-16-23-28;1-2-3-8-11-15-14(18)16-12-9-6-4-5-7-10-13-17/h8,10-16,20-23H,5-7,9,17-19,24-26H2,1-4H3,(H2,31,32,33);5,7,17H,2-4,6,8-13H2,1H3,(H2,15,16,18)/b10-8-;7-5-.
What are the key properties of 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea?
1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea has a molecular weight of 751.19 g/mol, XLogP of 8.75, 26 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea;1-[(Z)-8-hydroxyoct-5-enyl]-3-pentylurea is sourced from PubChem (CID 157147139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).