trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate

C19H42O3Si2 — CID 91719423

IUPACtrimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate
SMILESCC(C)CCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-17(2)14-12-10-9-11-13-15-18(21-23(3,4)5)16-19(20)22-24(6,7)8/h17-18H,9-16H2,1-8H3
InChIKeyYZDJCBQLGSWRQS-UHFFFAOYSA-N
MW374.71 g/mol
LogP6.36
Rot. Bonds13

About trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate

trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate (PubChem CID 91719423) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate.

Molecular Properties

Compound Nametrimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate
PubChem CID91719423
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Nametrimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate
SMILESCC(C)CCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-17(2)14-12-10-9-11-13-15-18(21-23(3,4)5)16-19(20)22-24(6,7)8/h17-18H,9-16H2,1-8H3
InChIKeyYZDJCBQLGSWRQS-UHFFFAOYSA-N
XLogP6.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 56.36
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 11-methyl-3-trimethylsilyloxydodecanoate?
The IUPAC name of trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate (CID 91719423) is trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate.
What is the SMILES notation for trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate?
The canonical SMILES for trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate is CC(C)CCCCCCCC(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate?
The InChIKey is YZDJCBQLGSWRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-17(2)14-12-10-9-11-13-15-18(21-23(3,4)5)16-19(20)22-24(6,7)8/h17-18H,9-16H2,1-8H3.
What are the key properties of trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate?
trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate has a molecular weight of 374.71 g/mol, XLogP of 6.36, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 11-methyl-3-trimethylsilyloxydodecanoate is sourced from PubChem (CID 91719423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).