1-trimethoxysilylpropan-2-yl acetate

C8H18O5Si — CID 21074433

IUPAC1-trimethoxysilylpropan-2-yl acetate
SMILESCO[Si](CC(C)OC(C)=O)(OC)OC
InChIInChI=1S/C8H18O5Si/c1-7(13-8(2)9)6-14(10-3,11-4)12-5/h7H,6H2,1-5H3
InChIKeyZQIRDVOOZRNVDY-UHFFFAOYSA-N
MW222.31 g/mol
LogP0.82
Rot. Bonds6

About 1-trimethoxysilylpropan-2-yl acetate

1-trimethoxysilylpropan-2-yl acetate (PubChem CID 21074433) has the molecular formula C8H18O5Si and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-trimethoxysilylpropan-2-yl acetate.

Molecular Properties

Compound Name1-trimethoxysilylpropan-2-yl acetate
PubChem CID21074433
Molecular FormulaC8H18O5Si
Molecular Weight222.31 g/mol
Exact Mass222.09
IUPAC Name1-trimethoxysilylpropan-2-yl acetate
SMILESCO[Si](CC(C)OC(C)=O)(OC)OC
InChIInChI=1S/C8H18O5Si/c1-7(13-8(2)9)6-14(10-3,11-4)12-5/h7H,6H2,1-5H3
InChIKeyZQIRDVOOZRNVDY-UHFFFAOYSA-N
XLogP0.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylpropan-2-yl acetate?
The IUPAC name of 1-trimethoxysilylpropan-2-yl acetate (CID 21074433) is 1-trimethoxysilylpropan-2-yl acetate.
What is the SMILES notation for 1-trimethoxysilylpropan-2-yl acetate?
The canonical SMILES for 1-trimethoxysilylpropan-2-yl acetate is CO[Si](CC(C)OC(C)=O)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropan-2-yl acetate?
The InChIKey is ZQIRDVOOZRNVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O5Si/c1-7(13-8(2)9)6-14(10-3,11-4)12-5/h7H,6H2,1-5H3.
What are the key properties of 1-trimethoxysilylpropan-2-yl acetate?
1-trimethoxysilylpropan-2-yl acetate has a molecular weight of 222.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropan-2-yl acetate is sourced from PubChem (CID 21074433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).