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

C30H46N2O2Si — CID 90098464

IUPAC1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H46N2O2Si/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/h8,10-16,20-23H,5-7,9,17-19,24-26H2,1-4H3,(H2,31,32,33)/b10-8-
InChIKeyWEAZLRGWXKIHPG-NTMALXAHSA-N
MW494.80 g/mol
LogP6.17
Rot. Bonds15

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

1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea (PubChem CID 90098464) has the molecular formula C30H46N2O2Si and a molecular weight of 494.80 g/mol. Its IUPAC name is 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea.

Molecular Properties

Compound Name1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea
PubChem CID90098464
Molecular FormulaC30H46N2O2Si
Molecular Weight494.80 g/mol
Exact Mass494.33
IUPAC Name1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H46N2O2Si/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/h8,10-16,20-23H,5-7,9,17-19,24-26H2,1-4H3,(H2,31,32,33)/b10-8-
InChIKeyWEAZLRGWXKIHPG-NTMALXAHSA-N
XLogP6.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.80
LogP ≤ 56.17
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)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea?
The IUPAC name of 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea (CID 90098464) is 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea.
What is the SMILES notation for 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea?
The canonical SMILES for 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea is 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?
The InChIKey is WEAZLRGWXKIHPG-NTMALXAHSA-N. The full InChI is InChI=1S/C30H46N2O2Si/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/h8,10-16,20-23H,5-7,9,17-19,24-26H2,1-4H3,(H2,31,32,33)/b10-8-.
What are the key properties of 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea?
1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea has a molecular weight of 494.80 g/mol, XLogP of 6.17, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-8-[tert-butyl(diphenyl)silyl]oxyoct-5-enyl]-3-pentylurea is sourced from PubChem (CID 90098464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).