1-triethoxysilylpropyl 2-methylbutanoate

C14H30O5Si — CID 22902856

IUPAC1-triethoxysilylpropyl 2-methylbutanoate
SMILESCCO[Si](OCC)(OCC)C(CC)OC(=O)C(C)CC
InChIInChI=1S/C14H30O5Si/c1-7-12(6)14(15)19-13(8-2)20(16-9-3,17-10-4)18-11-5/h12-13H,7-11H2,1-6H3
InChIKeyRZKOODHBNIDMBZ-UHFFFAOYSA-N
MW306.48 g/mol
LogP2.94
Rot. Bonds11

About 1-triethoxysilylpropyl 2-methylbutanoate

1-triethoxysilylpropyl 2-methylbutanoate (PubChem CID 22902856) has the molecular formula C14H30O5Si and a molecular weight of 306.48 g/mol. Its IUPAC name is 1-triethoxysilylpropyl 2-methylbutanoate.

Molecular Properties

Compound Name1-triethoxysilylpropyl 2-methylbutanoate
PubChem CID22902856
Molecular FormulaC14H30O5Si
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name1-triethoxysilylpropyl 2-methylbutanoate
SMILESCCO[Si](OCC)(OCC)C(CC)OC(=O)C(C)CC
InChIInChI=1S/C14H30O5Si/c1-7-12(6)14(15)19-13(8-2)20(16-9-3,17-10-4)18-11-5/h12-13H,7-11H2,1-6H3
InChIKeyRZKOODHBNIDMBZ-UHFFFAOYSA-N
XLogP2.94
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-oxo-3-(1-triethoxysilylpropoxy)propanoic acid
CID 23169573
ethane;ethyl 2-methylbutanoate
CID 144747106
2-methylpentan-3-yl 2-methylbutanoate
CID 118880075
3-oxobutan-2-yl 2-methylbutanoate
CID 59653814
silane;triethoxy(1-methoxypropyl)silane
CID 175591371
2-(2-methylbutanoyloxy)propyl 2-methylbutanoate
CID 57009973
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
1,5-diaminopentan-3-yl 2-methylbutanoate
CID 88947766
[methylsulfanyl(sulfanyl)methyl] 2-methylbutanoate
CID 87459895
1-(3-ethyloxiran-2-yl)ethyl 2-methylbutanoate
CID 131972284
ethane;methyl (2R)-2-methylbutanoate
CID 143689114

Frequently Asked Questions

What is the IUPAC name of 1-triethoxysilylpropyl 2-methylbutanoate?
The IUPAC name of 1-triethoxysilylpropyl 2-methylbutanoate (CID 22902856) is 1-triethoxysilylpropyl 2-methylbutanoate.
What is the SMILES notation for 1-triethoxysilylpropyl 2-methylbutanoate?
The canonical SMILES for 1-triethoxysilylpropyl 2-methylbutanoate is CCO[Si](OCC)(OCC)C(CC)OC(=O)C(C)CC.
What is the InChIKey of 1-triethoxysilylpropyl 2-methylbutanoate?
The InChIKey is RZKOODHBNIDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O5Si/c1-7-12(6)14(15)19-13(8-2)20(16-9-3,17-10-4)18-11-5/h12-13H,7-11H2,1-6H3.
What are the key properties of 1-triethoxysilylpropyl 2-methylbutanoate?
1-triethoxysilylpropyl 2-methylbutanoate has a molecular weight of 306.48 g/mol, XLogP of 2.94, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-triethoxysilylpropyl 2-methylbutanoate is sourced from PubChem (CID 22902856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).