[diethoxy(methyl)silyl] 2-methylhexanoate

C12H26O4Si — CID 90717807

IUPAC[diethoxy(methyl)silyl] 2-methylhexanoate
SMILESCCCCC(C)C(=O)O[Si](C)(OCC)OCC
InChIInChI=1S/C12H26O4Si/c1-6-9-10-11(4)12(13)16-17(5,14-7-2)15-8-3/h11H,6-10H2,1-5H3
InChIKeyCVPXKZGWPKBTLF-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.00
Rot. Bonds9

About [diethoxy(methyl)silyl] 2-methylhexanoate

[diethoxy(methyl)silyl] 2-methylhexanoate (PubChem CID 90717807) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is [diethoxy(methyl)silyl] 2-methylhexanoate.

Molecular Properties

Compound Name[diethoxy(methyl)silyl] 2-methylhexanoate
PubChem CID90717807
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name[diethoxy(methyl)silyl] 2-methylhexanoate
SMILESCCCCC(C)C(=O)O[Si](C)(OCC)OCC
InChIInChI=1S/C12H26O4Si/c1-6-9-10-11(4)12(13)16-17(5,14-7-2)15-8-3/h11H,6-10H2,1-5H3
InChIKeyCVPXKZGWPKBTLF-UHFFFAOYSA-N
XLogP3.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Hexanoic acid, 2-ethyl-, 1,1',1''-(methylsilylidyne) ester
CID 116673
Hexanedioic acid, 3-methyl-, bis(trimethylsilyl) ester
CID 521639
2-Ethylhexanoic acid, trimethylsilyl ester
CID 553386
Ethyl 2-(trimethylsilylmethyl)hexanoate
CID 10014095
Adipic acid, isohexyl methyl ester
CID 91718008
[Diethoxy(methyl)silyl] hexanoate
CID 9881399
[Tert-butyl(dimethyl)silyl] 5-methyl-6-oxohexanoate
CID 18964710
3-(2'-Ethylcaproyloxy)-propyltriethoxysilane
CID 21431668
Methyl hexanoate;methyl 2-methylpentanoate
CID 87593184
Triethoxysilyl hexanoate
CID 87791863
[Butyl(dimethyl)silyl] 2-methylhexanoate
CID 88278655
[Dimethoxy(methyl)silyl] hexanoate
CID 88925975

Frequently Asked Questions

What is the IUPAC name of [diethoxy(methyl)silyl] 2-methylhexanoate?
The IUPAC name of [diethoxy(methyl)silyl] 2-methylhexanoate (CID 90717807) is [diethoxy(methyl)silyl] 2-methylhexanoate.
What is the SMILES notation for [diethoxy(methyl)silyl] 2-methylhexanoate?
The canonical SMILES for [diethoxy(methyl)silyl] 2-methylhexanoate is CCCCC(C)C(=O)O[Si](C)(OCC)OCC.
What is the InChIKey of [diethoxy(methyl)silyl] 2-methylhexanoate?
The InChIKey is CVPXKZGWPKBTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-6-9-10-11(4)12(13)16-17(5,14-7-2)15-8-3/h11H,6-10H2,1-5H3.
What are the key properties of [diethoxy(methyl)silyl] 2-methylhexanoate?
[diethoxy(methyl)silyl] 2-methylhexanoate has a molecular weight of 262.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(methyl)silyl] 2-methylhexanoate is sourced from PubChem (CID 90717807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).