16-triethylsilyloxyhexadecan-2-one

C22H46O2Si — CID 86010278

IUPAC16-triethylsilyloxyhexadecan-2-one
SMILESCC[Si](CC)(CC)OCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C22H46O2Si/c1-5-25(6-2,7-3)24-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22(4)23/h5-21H2,1-4H3
InChIKeyJWIPEDVWUWHHEL-UHFFFAOYSA-N
MW370.69 g/mol
LogP7.67
Rot. Bonds19

About 16-triethylsilyloxyhexadecan-2-one

16-triethylsilyloxyhexadecan-2-one (PubChem CID 86010278) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is 16-triethylsilyloxyhexadecan-2-one.

Molecular Properties

Compound Name16-triethylsilyloxyhexadecan-2-one
PubChem CID86010278
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name16-triethylsilyloxyhexadecan-2-one
SMILESCC[Si](CC)(CC)OCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C22H46O2Si/c1-5-25(6-2,7-3)24-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22(4)23/h5-21H2,1-4H3
InChIKeyJWIPEDVWUWHHEL-UHFFFAOYSA-N
XLogP7.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 57.67
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

Octadecanoic acid, 12-[(trimethylsilyl)oxy]-, methyl ester
CID 604384
Methyl 15-trimethylsiloxy eicosanoate
CID 129726527
Methyl 18-trimethylsiloxy eicosanoate
CID 129726555
Methyl 12-trimethylsiloxy eicosanoate
CID 129726563
Methyl 8-trimethylsiloxy eicosanoate
CID 129726572
Methyl 17-trimethylsiloxy eicosanoate
CID 129726574
(R)-3-(t-butyl-dimethylsiloxy)tetradecanal
CID 10893271
(3S)-3-(((1,1-Dimethylethyl)dimethylsilyl)oxy)tetradecanal
CID 11580953
11-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526770
9-Hydroxy-stearic acid, methyl ester, tBDMS ether
CID 526774
8-Hydroxy-arachidic, methyl ester, tBDMS ether
CID 526784
Octadecanoic acid, 12-(trimethylsiloxy)-, trimethylsilyl ester
CID 553334

Frequently Asked Questions

What is the IUPAC name of 16-triethylsilyloxyhexadecan-2-one?
The IUPAC name of 16-triethylsilyloxyhexadecan-2-one (CID 86010278) is 16-triethylsilyloxyhexadecan-2-one.
What is the SMILES notation for 16-triethylsilyloxyhexadecan-2-one?
The canonical SMILES for 16-triethylsilyloxyhexadecan-2-one is CC[Si](CC)(CC)OCCCCCCCCCCCCCCC(C)=O.
What is the InChIKey of 16-triethylsilyloxyhexadecan-2-one?
The InChIKey is JWIPEDVWUWHHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-5-25(6-2,7-3)24-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22(4)23/h5-21H2,1-4H3.
What are the key properties of 16-triethylsilyloxyhexadecan-2-one?
16-triethylsilyloxyhexadecan-2-one has a molecular weight of 370.69 g/mol, XLogP of 7.67, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-triethylsilyloxyhexadecan-2-one is sourced from PubChem (CID 86010278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).