4-trimethoxysilylbutan-2-yl acetate

C9H20O5Si — CID 102461818

IUPAC4-trimethoxysilylbutan-2-yl acetate
SMILESCO[Si](CCC(C)OC(C)=O)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-8(14-9(2)10)6-7-15(11-3,12-4)13-5/h8H,6-7H2,1-5H3
InChIKeyPRXLCCSCXWYKAO-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.21
Rot. Bonds7

About 4-trimethoxysilylbutan-2-yl acetate

4-trimethoxysilylbutan-2-yl acetate (PubChem CID 102461818) has the molecular formula C9H20O5Si and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-trimethoxysilylbutan-2-yl acetate.

Molecular Properties

Compound Name4-trimethoxysilylbutan-2-yl acetate
PubChem CID102461818
Molecular FormulaC9H20O5Si
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name4-trimethoxysilylbutan-2-yl acetate
SMILESCO[Si](CCC(C)OC(C)=O)(OC)OC
InChIInChI=1S/C9H20O5Si/c1-8(14-9(2)10)6-7-15(11-3,12-4)13-5/h8H,6-7H2,1-5H3
InChIKeyPRXLCCSCXWYKAO-UHFFFAOYSA-N
XLogP1.21
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-trimethoxysilylbutan-2-yl acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-trimethoxysilylbutan-2-yl acetate?
The IUPAC name of 4-trimethoxysilylbutan-2-yl acetate (CID 102461818) is 4-trimethoxysilylbutan-2-yl acetate.
What is the SMILES notation for 4-trimethoxysilylbutan-2-yl acetate?
The canonical SMILES for 4-trimethoxysilylbutan-2-yl acetate is CO[Si](CCC(C)OC(C)=O)(OC)OC.
What is the InChIKey of 4-trimethoxysilylbutan-2-yl acetate?
The InChIKey is PRXLCCSCXWYKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5Si/c1-8(14-9(2)10)6-7-15(11-3,12-4)13-5/h8H,6-7H2,1-5H3.
What are the key properties of 4-trimethoxysilylbutan-2-yl acetate?
4-trimethoxysilylbutan-2-yl acetate has a molecular weight of 236.34 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethoxysilylbutan-2-yl acetate is sourced from PubChem (CID 102461818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).