3-dimethoxysilylpropyl 2-methylbutanoate

C10H22O4Si — CID 159486241

IUPAC3-dimethoxysilylpropyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCC[SiH](OC)OC
InChIInChI=1S/C10H22O4Si/c1-5-9(2)10(11)14-7-6-8-15(12-3)13-4/h9,15H,5-8H2,1-4H3
InChIKeyIODCXQUBLZUCKV-UHFFFAOYSA-N
MW234.37 g/mol
LogP1.48
Rot. Bonds8

About 3-dimethoxysilylpropyl 2-methylbutanoate

3-dimethoxysilylpropyl 2-methylbutanoate (PubChem CID 159486241) has the molecular formula C10H22O4Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 3-dimethoxysilylpropyl 2-methylbutanoate.

Molecular Properties

Compound Name3-dimethoxysilylpropyl 2-methylbutanoate
PubChem CID159486241
Molecular FormulaC10H22O4Si
Molecular Weight234.37 g/mol
Exact Mass234.13
IUPAC Name3-dimethoxysilylpropyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCC[SiH](OC)OC
InChIInChI=1S/C10H22O4Si/c1-5-9(2)10(11)14-7-6-8-15(12-3)13-4/h9,15H,5-8H2,1-4H3
InChIKeyIODCXQUBLZUCKV-UHFFFAOYSA-N
XLogP1.48
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 51.48
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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Related Compounds

8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907
methane;2-methoxyethyl 2-methylbutanoate
CID 165084023
propyl (2R)-2-methylbutanoate
CID 86306230
3-hydroxypropyl 2-methylbutanoate;octadecyl 2-methylbutanoate
CID 91132998
3-[dimethylsilyloxy(dimethoxy)silyl]propyl 2-methylbutanoate
CID 123779054
3-cyanopropyl 2-methylbutanoate
CID 59866982
trimethyl-[3-(2-methylbutanoyloxy)propyl]azanium
CID 20764960
3-dimethoxysilylpropyl but-2-enoate
CID 123850161
4-(2-methylprop-2-enoyloxy)butyl 2-methylbutanoate
CID 59696121
3-[(2R)-2-methylbutanoyl]oxypropanoic acid
CID 89148058
3-methylpentyl 2-methylbutanoate
CID 3019319
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxysilylpropyl 2-methylbutanoate?
The IUPAC name of 3-dimethoxysilylpropyl 2-methylbutanoate (CID 159486241) is 3-dimethoxysilylpropyl 2-methylbutanoate.
What is the SMILES notation for 3-dimethoxysilylpropyl 2-methylbutanoate?
The canonical SMILES for 3-dimethoxysilylpropyl 2-methylbutanoate is CCC(C)C(=O)OCCC[SiH](OC)OC.
What is the InChIKey of 3-dimethoxysilylpropyl 2-methylbutanoate?
The InChIKey is IODCXQUBLZUCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4Si/c1-5-9(2)10(11)14-7-6-8-15(12-3)13-4/h9,15H,5-8H2,1-4H3.
What are the key properties of 3-dimethoxysilylpropyl 2-methylbutanoate?
3-dimethoxysilylpropyl 2-methylbutanoate has a molecular weight of 234.37 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxysilylpropyl 2-methylbutanoate is sourced from PubChem (CID 159486241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).