3-[acetyloxy(dimethyl)silyl]propyl acetate

C9H18O4Si — CID 18787770

IUPAC3-[acetyloxy(dimethyl)silyl]propyl acetate
SMILESCC(=O)OCCC[Si](C)(C)OC(C)=O
InChIInChI=1S/C9H18O4Si/c1-8(10)12-6-5-7-14(3,4)13-9(2)11/h5-7H2,1-4H3
InChIKeyLECICXPNDBUZHY-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.71
Rot. Bonds5

About 3-[acetyloxy(dimethyl)silyl]propyl acetate

3-[acetyloxy(dimethyl)silyl]propyl acetate (PubChem CID 18787770) has the molecular formula C9H18O4Si and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-[acetyloxy(dimethyl)silyl]propyl acetate.

Molecular Properties

Compound Name3-[acetyloxy(dimethyl)silyl]propyl acetate
PubChem CID18787770
Molecular FormulaC9H18O4Si
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-[acetyloxy(dimethyl)silyl]propyl acetate
SMILESCC(=O)OCCC[Si](C)(C)OC(C)=O
InChIInChI=1S/C9H18O4Si/c1-8(10)12-6-5-7-14(3,4)13-9(2)11/h5-7H2,1-4H3
InChIKeyLECICXPNDBUZHY-UHFFFAOYSA-N
XLogP1.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.71
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'}

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Related Compounds

[3-methoxypropyl(dimethyl)silyl] acetate
CID 87592350
[dimethyl(3-propoxypropyl)silyl] acetate
CID 87590503
3-[hydroxy(dimethyl)silyl]propyl acetate
CID 71325011
[butyl(dimethyl)silyl] acetate
CID 22926546
3-[diethyl(methyl)silyl]propyl acetate
CID 101001894
3-[[[[acetyloxy(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 11826747
3-[dimethyl-tris[[3-acetyloxypropyl(dimethyl)silyl]oxy]silyloxysilyloxysilyl]propyl acetate
CID 154103827
11-acetyloxyundecyl acetate
CID 87784419
[3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate
CID 87590933
3-[2-[dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]silyl]oxyethoxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 156628189
CID 19429806
CID 19429806
3-[[3-acetyloxypropyl(dimethyl)silyl]oxy-bis(trimethylsilyloxy)silyl]propyl but-2-enoate
CID 173363801

Frequently Asked Questions

What is the IUPAC name of 3-[acetyloxy(dimethyl)silyl]propyl acetate?
The IUPAC name of 3-[acetyloxy(dimethyl)silyl]propyl acetate (CID 18787770) is 3-[acetyloxy(dimethyl)silyl]propyl acetate.
What is the SMILES notation for 3-[acetyloxy(dimethyl)silyl]propyl acetate?
The canonical SMILES for 3-[acetyloxy(dimethyl)silyl]propyl acetate is CC(=O)OCCC[Si](C)(C)OC(C)=O.
What is the InChIKey of 3-[acetyloxy(dimethyl)silyl]propyl acetate?
The InChIKey is LECICXPNDBUZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4Si/c1-8(10)12-6-5-7-14(3,4)13-9(2)11/h5-7H2,1-4H3.
What are the key properties of 3-[acetyloxy(dimethyl)silyl]propyl acetate?
3-[acetyloxy(dimethyl)silyl]propyl acetate has a molecular weight of 218.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyloxy(dimethyl)silyl]propyl acetate is sourced from PubChem (CID 18787770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).