18-trimethylsilyloxyoctadecan-7-one

C21H44O2Si — CID 631035

IUPAC18-trimethylsilyloxyoctadecan-7-one
SMILESCCCCCCC(=O)CCCCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C21H44O2Si/c1-5-6-7-15-18-21(22)19-16-13-11-9-8-10-12-14-17-20-23-24(2,3)4/h5-20H2,1-4H3
InChIKeyCMLAIXOSJOLVEJ-UHFFFAOYSA-N
MW356.67 g/mol
LogP7.28
Rot. Bonds18

About 18-trimethylsilyloxyoctadecan-7-one

18-trimethylsilyloxyoctadecan-7-one (PubChem CID 631035) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is 18-trimethylsilyloxyoctadecan-7-one.

Molecular Properties

Compound Name18-trimethylsilyloxyoctadecan-7-one
PubChem CID631035
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Name18-trimethylsilyloxyoctadecan-7-one
SMILESCCCCCCC(=O)CCCCCCCCCCCO[Si](C)(C)C
InChIInChI=1S/C21H44O2Si/c1-5-6-7-15-18-21(22)19-16-13-11-9-8-10-12-14-17-20-23-24(2,3)4/h5-20H2,1-4H3
InChIKeyCMLAIXOSJOLVEJ-UHFFFAOYSA-N
XLogP7.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 57.28
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

Methyl 16-[(trimethylsilyl)oxy]hexadecanoate
CID 554929
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
Octadecanoic acid, 12-(trimethylsiloxy)-, trimethylsilyl ester
CID 553334
Methyl 22-[(trimethylsilyl)oxy]docosanoate
CID 554384
16-hydroxyhexadecanoic acid, TMSi ester TMSi ether
CID 13295625
Trimethylsilyl 20-(trimethylsilyloxy)eicosanoate
CID 86005632
Trimethylsilyl 12-trimethylsilyloxydodecanoate
CID 13295623

Frequently Asked Questions

What is the IUPAC name of 18-trimethylsilyloxyoctadecan-7-one?
The IUPAC name of 18-trimethylsilyloxyoctadecan-7-one (CID 631035) is 18-trimethylsilyloxyoctadecan-7-one.
What is the SMILES notation for 18-trimethylsilyloxyoctadecan-7-one?
The canonical SMILES for 18-trimethylsilyloxyoctadecan-7-one is CCCCCCC(=O)CCCCCCCCCCCO[Si](C)(C)C.
What is the InChIKey of 18-trimethylsilyloxyoctadecan-7-one?
The InChIKey is CMLAIXOSJOLVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-5-6-7-15-18-21(22)19-16-13-11-9-8-10-12-14-17-20-23-24(2,3)4/h5-20H2,1-4H3.
What are the key properties of 18-trimethylsilyloxyoctadecan-7-one?
18-trimethylsilyloxyoctadecan-7-one has a molecular weight of 356.67 g/mol, XLogP of 7.28, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-trimethylsilyloxyoctadecan-7-one is sourced from PubChem (CID 631035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).