methyl 11-methoxysilylundecanoate

C13H28O3Si — CID 123472128

IUPACmethyl 11-methoxysilylundecanoate
SMILESCO[SiH2]CCCCCCCCCCC(=O)OC
InChIInChI=1S/C13H28O3Si/c1-15-13(14)11-9-7-5-3-4-6-8-10-12-17-16-2/h3-12,17H2,1-2H3
InChIKeyCICOBTNDSDNWHL-UHFFFAOYSA-N
MW260.45 g/mol
LogP2.82
Rot. Bonds12

About methyl 11-methoxysilylundecanoate

methyl 11-methoxysilylundecanoate (PubChem CID 123472128) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl 11-methoxysilylundecanoate.

Molecular Properties

Compound Namemethyl 11-methoxysilylundecanoate
PubChem CID123472128
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl 11-methoxysilylundecanoate
SMILESCO[SiH2]CCCCCCCCCCC(=O)OC
InChIInChI=1S/C13H28O3Si/c1-15-13(14)11-9-7-5-3-4-6-8-10-12-17-16-2/h3-12,17H2,1-2H3
InChIKeyCICOBTNDSDNWHL-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 52.82
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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Related Compounds

bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl dotriacontanedioate
CID 14325565
dimethyl tricosanedioate
CID 12632762
bis(methyl 2-[(2-methoxy-2-oxoethyl)-(11-methoxysilylundecanoyl)amino]acetate);silane
CID 158393557
dimethyl hexanedioate;λ2-stannane
CID 173290075
dimethyl hexanedioate;stannane
CID 173290076
dimethyl 9-oxooctadecanedioate
CID 544455
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 20-bromoicosanoate
CID 155895697
methyl heptanoate
CID 7826
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
methyl heptadecanoate
CID 15609

Frequently Asked Questions

What is the IUPAC name of methyl 11-methoxysilylundecanoate?
The IUPAC name of methyl 11-methoxysilylundecanoate (CID 123472128) is methyl 11-methoxysilylundecanoate.
What is the SMILES notation for methyl 11-methoxysilylundecanoate?
The canonical SMILES for methyl 11-methoxysilylundecanoate is CO[SiH2]CCCCCCCCCCC(=O)OC.
What is the InChIKey of methyl 11-methoxysilylundecanoate?
The InChIKey is CICOBTNDSDNWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-15-13(14)11-9-7-5-3-4-6-8-10-12-17-16-2/h3-12,17H2,1-2H3.
What are the key properties of methyl 11-methoxysilylundecanoate?
methyl 11-methoxysilylundecanoate has a molecular weight of 260.45 g/mol, XLogP of 2.82, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 11-methoxysilylundecanoate is sourced from PubChem (CID 123472128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).