8-trimethoxysilyloctyl 2-methylbutanoate

C16H34O5Si — CID 140925907

IUPAC8-trimethoxysilyloctyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C16H34O5Si/c1-6-15(2)16(17)21-13-11-9-7-8-10-12-14-22(18-3,19-4)20-5/h15H,6-14H2,1-5H3
InChIKeyRBRCSHBTUCSVIO-UHFFFAOYSA-N
MW334.53 g/mol
LogP3.79
Rot. Bonds14

About 8-trimethoxysilyloctyl 2-methylbutanoate

8-trimethoxysilyloctyl 2-methylbutanoate (PubChem CID 140925907) has the molecular formula C16H34O5Si and a molecular weight of 334.53 g/mol. Its IUPAC name is 8-trimethoxysilyloctyl 2-methylbutanoate.

Molecular Properties

Compound Name8-trimethoxysilyloctyl 2-methylbutanoate
PubChem CID140925907
Molecular FormulaC16H34O5Si
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Name8-trimethoxysilyloctyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCCCCCCC[Si](OC)(OC)OC
InChIInChI=1S/C16H34O5Si/c1-6-15(2)16(17)21-13-11-9-7-8-10-12-14-22(18-3,19-4)20-5/h15H,6-14H2,1-5H3
InChIKeyRBRCSHBTUCSVIO-UHFFFAOYSA-N
XLogP3.79
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-trimethoxysilyloctyl 2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dodecyl 3-methylbutanoate
CID 243803
Octadecyl 2-methyl-butanoate
CID 56935978
Hexadecyl 3-methylbutanoate
CID 568511
Acetic acid, 11-(triethoxysilyl)undecyl ester
CID 600939
Isovaleric acid, tetradecyl ester
CID 85978281
6-Octadecenyl 3-methylbutanoate
CID 56935996
Tetracosyl 3-methylbutanoate
CID 91703096
Dodecyl 2-methylbutanoate
CID 20461769
Heptadecyl a-methylbutyrate
CID 59017034
n-Hexacosanyl isovalerate
CID 5318034
Hexadecyl 2-methyl-butanoate
CID 23396746
Isovaleric acid, undecyl ester
CID 59104688

Frequently Asked Questions

What is the IUPAC name of 8-trimethoxysilyloctyl 2-methylbutanoate?
The IUPAC name of 8-trimethoxysilyloctyl 2-methylbutanoate (CID 140925907) is 8-trimethoxysilyloctyl 2-methylbutanoate.
What is the SMILES notation for 8-trimethoxysilyloctyl 2-methylbutanoate?
The canonical SMILES for 8-trimethoxysilyloctyl 2-methylbutanoate is CCC(C)C(=O)OCCCCCCCC[Si](OC)(OC)OC.
What is the InChIKey of 8-trimethoxysilyloctyl 2-methylbutanoate?
The InChIKey is RBRCSHBTUCSVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O5Si/c1-6-15(2)16(17)21-13-11-9-7-8-10-12-14-22(18-3,19-4)20-5/h15H,6-14H2,1-5H3.
What are the key properties of 8-trimethoxysilyloctyl 2-methylbutanoate?
8-trimethoxysilyloctyl 2-methylbutanoate has a molecular weight of 334.53 g/mol, XLogP of 3.79, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-trimethoxysilyloctyl 2-methylbutanoate is sourced from PubChem (CID 140925907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).