3-[chloro(diethoxy)silyl]propyl acetate

C9H19ClO4Si — CID 87213804

IUPAC3-[chloro(diethoxy)silyl]propyl acetate
SMILESCCO[Si](Cl)(CCCOC(C)=O)OCC
InChIInChI=1S/C9H19ClO4Si/c1-4-13-15(10,14-5-2)8-6-7-12-9(3)11/h4-8H2,1-3H3
InChIKeyISXBMJYCSVEFHN-UHFFFAOYSA-N
MW254.79 g/mol
LogP2.19
Rot. Bonds8

About 3-[chloro(diethoxy)silyl]propyl acetate

3-[chloro(diethoxy)silyl]propyl acetate (PubChem CID 87213804) has the molecular formula C9H19ClO4Si and a molecular weight of 254.79 g/mol. Its IUPAC name is 3-[chloro(diethoxy)silyl]propyl acetate.

Molecular Properties

Compound Name3-[chloro(diethoxy)silyl]propyl acetate
PubChem CID87213804
Molecular FormulaC9H19ClO4Si
Molecular Weight254.79 g/mol
Exact Mass254.07
IUPAC Name3-[chloro(diethoxy)silyl]propyl acetate
SMILESCCO[Si](Cl)(CCCOC(C)=O)OCC
InChIInChI=1S/C9H19ClO4Si/c1-4-13-15(10,14-5-2)8-6-7-12-9(3)11/h4-8H2,1-3H3
InChIKeyISXBMJYCSVEFHN-UHFFFAOYSA-N
XLogP2.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 52.19
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

3-[chloro(diethoxy)silyl]propyl but-2-enoate
CID 90871335
7-trichlorosilylheptyl acetate
CID 150460177
3-[diethyl(methyl)silyl]propyl acetate
CID 101001894
3-[hydroxy(dimethyl)silyl]propyl acetate
CID 71325011
butyl-chloro-ethoxy-propoxysilane
CID 140745078
11-acetyloxyundecyl acetate
CID 87784419
3-ethoxypropyl acetate
CID 14847874
3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
CID 87429945
CID 87429945
CID 159701402
CID 159701402
CID 159328585
CID 159328585
[(E)-6-triethoxysilylhex-5-enyl] acetate
CID 11324172

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(diethoxy)silyl]propyl acetate?
The IUPAC name of 3-[chloro(diethoxy)silyl]propyl acetate (CID 87213804) is 3-[chloro(diethoxy)silyl]propyl acetate.
What is the SMILES notation for 3-[chloro(diethoxy)silyl]propyl acetate?
The canonical SMILES for 3-[chloro(diethoxy)silyl]propyl acetate is CCO[Si](Cl)(CCCOC(C)=O)OCC.
What is the InChIKey of 3-[chloro(diethoxy)silyl]propyl acetate?
The InChIKey is ISXBMJYCSVEFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClO4Si/c1-4-13-15(10,14-5-2)8-6-7-12-9(3)11/h4-8H2,1-3H3.
What are the key properties of 3-[chloro(diethoxy)silyl]propyl acetate?
3-[chloro(diethoxy)silyl]propyl acetate has a molecular weight of 254.79 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(diethoxy)silyl]propyl acetate is sourced from PubChem (CID 87213804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).