diphenylsilyl octadecanoate

C30H46O2Si — CID 123727369

IUPACdiphenylsilyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-30(31)32-33(28-23-18-16-19-24-28)29-25-20-17-21-26-29/h16-21,23-26,33H,2-15,22,27H2,1H3
InChIKeyBUXSJKLLQWZNCI-UHFFFAOYSA-N
MW466.78 g/mol
LogP7.33
Rot. Bonds19

About diphenylsilyl octadecanoate

diphenylsilyl octadecanoate (PubChem CID 123727369) has the molecular formula C30H46O2Si and a molecular weight of 466.78 g/mol. Its IUPAC name is diphenylsilyl octadecanoate.

Molecular Properties

Compound Namediphenylsilyl octadecanoate
PubChem CID123727369
Molecular FormulaC30H46O2Si
Molecular Weight466.78 g/mol
Exact Mass466.33
IUPAC Namediphenylsilyl octadecanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)O[SiH](c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-30(31)32-33(28-23-18-16-19-24-28)29-25-20-17-21-26-29/h16-21,23-26,33H,2-15,22,27H2,1H3
InChIKeyBUXSJKLLQWZNCI-UHFFFAOYSA-N
XLogP7.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.78
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

hexadecanoyl benzoate
CID 57040691
octanoyl benzoate
CID 15556056
phenyl hexapentacontanoate
CID 139682998
phenyl hexacosanoate
CID 23321598
phenyl tridecanoate
CID 54389784
phenyl dopentacontanoate
CID 139682818
phenyl triacontanoate
CID 54018873
alumane;phenyl octadecanoate
CID 173442753
mercury;phenyl octadecanoate
CID 158061503
1,1'-biphenyl;methyl tetradecanoate
CID 175273282
dinonanoyl benzene-1,2-dicarboxylate
CID 175883332
alumanyl octadecanoate;benzoic acid
CID 174060055

Frequently Asked Questions

What is the IUPAC name of diphenylsilyl octadecanoate?
The IUPAC name of diphenylsilyl octadecanoate (CID 123727369) is diphenylsilyl octadecanoate.
What is the SMILES notation for diphenylsilyl octadecanoate?
The canonical SMILES for diphenylsilyl octadecanoate is CCCCCCCCCCCCCCCCCC(=O)O[SiH](c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylsilyl octadecanoate?
The InChIKey is BUXSJKLLQWZNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46O2Si/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-30(31)32-33(28-23-18-16-19-24-28)29-25-20-17-21-26-29/h16-21,23-26,33H,2-15,22,27H2,1H3.
What are the key properties of diphenylsilyl octadecanoate?
diphenylsilyl octadecanoate has a molecular weight of 466.78 g/mol, XLogP of 7.33, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylsilyl octadecanoate is sourced from PubChem (CID 123727369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).