diethylsilyl hexadecanoate

C20H42O2Si — CID 173160220

IUPACdiethylsilyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[SiH](CC)CC
InChIInChI=1S/C20H42O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(5-2)6-3/h23H,4-19H2,1-3H3
InChIKeyKYYOJVSURMJXAK-UHFFFAOYSA-N
MW342.64 g/mol
LogP6.77
Rot. Bonds17

About diethylsilyl hexadecanoate

diethylsilyl hexadecanoate (PubChem CID 173160220) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is diethylsilyl hexadecanoate.

Molecular Properties

Compound Namediethylsilyl hexadecanoate
PubChem CID173160220
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Namediethylsilyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)O[SiH](CC)CC
InChIInChI=1S/C20H42O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(5-2)6-3/h23H,4-19H2,1-3H3
InChIKeyKYYOJVSURMJXAK-UHFFFAOYSA-N
XLogP6.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 56.77
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

henicosanoyl docosanoate
CID 175302110
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209
hexatriacontanoyl heptatriacontanoate
CID 135353262
octadecanoyl octatriacontanoate
CID 141042185
ethane;octadecanoyl octadecanoate
CID 174636018
methyl heptadecanoate
CID 15609
dodecanoyl dodecanoate;sulfane
CID 174888621
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl tetradecanoate
CID 89052795
1-tetradecanoyloxyethenyl tetradecanoate
CID 141442366

Frequently Asked Questions

What is the IUPAC name of diethylsilyl hexadecanoate?
The IUPAC name of diethylsilyl hexadecanoate (CID 173160220) is diethylsilyl hexadecanoate.
What is the SMILES notation for diethylsilyl hexadecanoate?
The canonical SMILES for diethylsilyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)O[SiH](CC)CC.
What is the InChIKey of diethylsilyl hexadecanoate?
The InChIKey is KYYOJVSURMJXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-23(5-2)6-3/h23H,4-19H2,1-3H3.
What are the key properties of diethylsilyl hexadecanoate?
diethylsilyl hexadecanoate has a molecular weight of 342.64 g/mol, XLogP of 6.77, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethylsilyl hexadecanoate is sourced from PubChem (CID 173160220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).