[dimethoxy(methyl)silyl] hexanoate

C9H20O4Si — CID 88925975

IUPAC[dimethoxy(methyl)silyl] hexanoate
SMILESCCCCCC(=O)O[Si](C)(OC)OC
InChIInChI=1S/C9H20O4Si/c1-5-6-7-8-9(10)13-14(4,11-2)12-3/h5-8H2,1-4H3
InChIKeyISBLQDQPLCIWKG-UHFFFAOYSA-N
MW220.34 g/mol
LogP1.97
Rot. Bonds7

About [dimethoxy(methyl)silyl] hexanoate

[dimethoxy(methyl)silyl] hexanoate (PubChem CID 88925975) has the molecular formula C9H20O4Si and a molecular weight of 220.34 g/mol. Its IUPAC name is [dimethoxy(methyl)silyl] hexanoate.

Molecular Properties

Compound Name[dimethoxy(methyl)silyl] hexanoate
PubChem CID88925975
Molecular FormulaC9H20O4Si
Molecular Weight220.34 g/mol
Exact Mass220.11
IUPAC Name[dimethoxy(methyl)silyl] hexanoate
SMILESCCCCCC(=O)O[Si](C)(OC)OC
InChIInChI=1S/C9H20O4Si/c1-5-6-7-8-9(10)13-14(4,11-2)12-3/h5-8H2,1-4H3
InChIKeyISBLQDQPLCIWKG-UHFFFAOYSA-N
XLogP1.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [dimethoxy(methyl)silyl] hexanoate?
The IUPAC name of [dimethoxy(methyl)silyl] hexanoate (CID 88925975) is [dimethoxy(methyl)silyl] hexanoate.
What is the SMILES notation for [dimethoxy(methyl)silyl] hexanoate?
The canonical SMILES for [dimethoxy(methyl)silyl] hexanoate is CCCCCC(=O)O[Si](C)(OC)OC.
What is the InChIKey of [dimethoxy(methyl)silyl] hexanoate?
The InChIKey is ISBLQDQPLCIWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4Si/c1-5-6-7-8-9(10)13-14(4,11-2)12-3/h5-8H2,1-4H3.
What are the key properties of [dimethoxy(methyl)silyl] hexanoate?
[dimethoxy(methyl)silyl] hexanoate has a molecular weight of 220.34 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethoxy(methyl)silyl] hexanoate is sourced from PubChem (CID 88925975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).