[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate

C48H76O4Si — CID 156904919

IUPAC[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[Si](OC(=O)CCCCCCC/C=C\CCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H76O4Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-43-47(49)51-53(45-39-33-31-34-40-45,46-41-35-32-36-42-46)52-48(50)44-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,31-36,39-42H,3-16,21-30,37-38,43-44H2,1-2H3/b19-17-,20-18-
InChIKeyOZYPHRBQDAYRKU-CLFAGFIQSA-N
MW745.22 g/mol
LogP13.40
Rot. Bonds34

About [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate

[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate (PubChem CID 156904919) has the molecular formula C48H76O4Si and a molecular weight of 745.22 g/mol. Its IUPAC name is [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate.

Molecular Properties

Compound Name[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate
PubChem CID156904919
Molecular FormulaC48H76O4Si
Molecular Weight745.22 g/mol
Exact Mass744.55
IUPAC Name[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[Si](OC(=O)CCCCCCC/C=C\CCCCCCCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H76O4Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-43-47(49)51-53(45-39-33-31-34-40-45,46-41-35-32-36-42-46)52-48(50)44-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,31-36,39-42H,3-16,21-30,37-38,43-44H2,1-2H3/b19-17-,20-18-
InChIKeyOZYPHRBQDAYRKU-CLFAGFIQSA-N
XLogP13.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.22
LogP ≤ 513.40
H-Bond Donors ≤ 50
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 [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate with MolForge

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Related Compounds

methyl (Z)-octadec-9-enoate;phenol
CID 67859518
disodium;hydride;[(Z)-octadec-9-enoyl] benzoate
CID 173427175
(2-chlorophenyl) (Z)-octadec-9-enoate
CID 70379833
benzyl (9Z,12Z)-octadeca-9,12-dienoate
CID 5368290
phenacyl octadec-6-enoate
CID 71430261
trimethylsilyl (E)-octadec-11-enoate
CID 5366419
bis[(E)-non-3-enoxy]-diphenylsilane
CID 91732770
trimethylsilyl (13Z,16Z)-docosa-13,16-dienoate
CID 91696446
phenyl heptadec-3-enoate
CID 54292851
phenoxycarbonyl (9Z,12Z)-octadeca-9,12-dienoate
CID 174880378
hexadecanoyl octadec-9-enoate
CID 54275429
[(Z)-hexadec-9-enoyl] hexadec-9-enoate
CID 173136221

Frequently Asked Questions

What is the IUPAC name of [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate?
The IUPAC name of [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate (CID 156904919) is [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate.
What is the SMILES notation for [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate?
The canonical SMILES for [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate is CCCCCCCC/C=C\CCCCCCCC(=O)O[Si](OC(=O)CCCCCCC/C=C\CCCCCCCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate?
The InChIKey is OZYPHRBQDAYRKU-CLFAGFIQSA-N. The full InChI is InChI=1S/C48H76O4Si/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-43-47(49)51-53(45-39-33-31-34-40-45,46-41-35-32-36-42-46)52-48(50)44-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,31-36,39-42H,3-16,21-30,37-38,43-44H2,1-2H3/b19-17-,20-18-.
What are the key properties of [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate?
[[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate has a molecular weight of 745.22 g/mol, XLogP of 13.40, 34 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-octadec-9-enoyl]oxy-diphenylsilyl] (Z)-octadec-9-enoate is sourced from PubChem (CID 156904919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).