trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate

C20H44O3Si2 — CID 91719424

IUPACtrimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate
SMILESCC(C)CCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-18(2)15-13-11-9-10-12-14-16-19(22-24(3,4)5)17-20(21)23-25(6,7)8/h18-19H,9-17H2,1-8H3
InChIKeyKTKCCQCMMQTSNY-UHFFFAOYSA-N
MW388.74 g/mol
LogP6.75
Rot. Bonds14

About trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate

trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate (PubChem CID 91719424) has the molecular formula C20H44O3Si2 and a molecular weight of 388.74 g/mol. Its IUPAC name is trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate.

Molecular Properties

Compound Nametrimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate
PubChem CID91719424
Molecular FormulaC20H44O3Si2
Molecular Weight388.74 g/mol
Exact Mass388.28
IUPAC Nametrimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate
SMILESCC(C)CCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H44O3Si2/c1-18(2)15-13-11-9-10-12-14-16-19(22-24(3,4)5)17-20(21)23-25(6,7)8/h18-19H,9-17H2,1-8H3
InChIKeyKTKCCQCMMQTSNY-UHFFFAOYSA-N
XLogP6.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate?
The IUPAC name of trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate (CID 91719424) is trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate.
What is the SMILES notation for trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate?
The canonical SMILES for trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate is CC(C)CCCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate?
The InChIKey is KTKCCQCMMQTSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44O3Si2/c1-18(2)15-13-11-9-10-12-14-16-19(22-24(3,4)5)17-20(21)23-25(6,7)8/h18-19H,9-17H2,1-8H3.
What are the key properties of trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate?
trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate has a molecular weight of 388.74 g/mol, XLogP of 6.75, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 12-methyl-3-trimethylsilyloxytridecanoate is sourced from PubChem (CID 91719424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).