1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea

C30H46N2O2Si — CID 70855200

IUPAC1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46N2O2Si/c1-4-5-18-25-31-29(33)32-26-19-10-8-6-7-9-17-24-30(2,3)35(34,27-20-13-11-14-21-27)28-22-15-12-16-23-28/h6-7,11-16,20-23,34H,4-5,8-10,17-19,24-26H2,1-3H3,(H2,31,32,33)/b7-6-
InChIKeyAPFJEGBHSXGJHQ-SREVYHEPSA-N
MW494.80 g/mol
LogP5.91
Rot. Bonds16

About 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea

1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea (PubChem CID 70855200) has the molecular formula C30H46N2O2Si and a molecular weight of 494.80 g/mol. Its IUPAC name is 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea.

Molecular Properties

Compound Name1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea
PubChem CID70855200
Molecular FormulaC30H46N2O2Si
Molecular Weight494.80 g/mol
Exact Mass494.33
IUPAC Name1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea
SMILESCCCCCNC(=O)NCCCC/C=C\CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46N2O2Si/c1-4-5-18-25-31-29(33)32-26-19-10-8-6-7-9-17-24-30(2,3)35(34,27-20-13-11-14-21-27)28-22-15-12-16-23-28/h6-7,11-16,20-23,34H,4-5,8-10,17-19,24-26H2,1-3H3,(H2,31,32,33)/b7-6-
InChIKeyAPFJEGBHSXGJHQ-SREVYHEPSA-N
XLogP5.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.80
LogP ≤ 55.91
H-Bond Donors ≤ 53
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-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-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

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea?
The IUPAC name of 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea (CID 70855200) is 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea.
What is the SMILES notation for 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea?
The canonical SMILES for 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea is CCCCCNC(=O)NCCCC/C=C\CCCC(C)(C)[Si](O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea?
The InChIKey is APFJEGBHSXGJHQ-SREVYHEPSA-N. The full InChI is InChI=1S/C30H46N2O2Si/c1-4-5-18-25-31-29(33)32-26-19-10-8-6-7-9-17-24-30(2,3)35(34,27-20-13-11-14-21-27)28-22-15-12-16-23-28/h6-7,11-16,20-23,34H,4-5,8-10,17-19,24-26H2,1-3H3,(H2,31,32,33)/b7-6-.
What are the key properties of 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea?
1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea has a molecular weight of 494.80 g/mol, XLogP of 5.91, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-10-[hydroxy(diphenyl)silyl]-10-methylundec-5-enyl]-3-pentylurea is sourced from PubChem (CID 70855200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).