[3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate

C12H26O5Si — CID 87590933

IUPAC[3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate
SMILESCOCC(COCCC[Si](C)(C)OC(C)=O)OC
InChIInChI=1S/C12H26O5Si/c1-11(13)17-18(4,5)8-6-7-16-10-12(15-3)9-14-2/h12H,6-10H2,1-5H3
InChIKeyGCQQTHOEMCTSLE-UHFFFAOYSA-N
MW278.42 g/mol
LogP1.82
Rot. Bonds10

About [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate

[3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate (PubChem CID 87590933) has the molecular formula C12H26O5Si and a molecular weight of 278.42 g/mol. Its IUPAC name is [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate.

Molecular Properties

Compound Name[3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate
PubChem CID87590933
Molecular FormulaC12H26O5Si
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name[3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate
SMILESCOCC(COCCC[Si](C)(C)OC(C)=O)OC
InChIInChI=1S/C12H26O5Si/c1-11(13)17-18(4,5)8-6-7-16-10-12(15-3)9-14-2/h12H,6-10H2,1-5H3
InChIKeyGCQQTHOEMCTSLE-UHFFFAOYSA-N
XLogP1.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 51.82
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'}

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Related Compounds

[3-methoxypropyl(dimethyl)silyl] acetate
CID 87592350
[dimethyl(3-propoxypropyl)silyl] acetate
CID 87590503
3-[acetyloxy(dimethyl)silyl]propyl acetate
CID 18787770
[butyl(dimethyl)silyl] acetate
CID 22926546
methane;2-methoxy-3-[3-[[2-[methoxy-bis(trimethylsilyloxy)silyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]propan-1-ol
CID 160521997
[1-[3-[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-3-hydroxypropan-2-yl] 2-methylprop-2-enoate
CID 102146077
1-[3-[3-[[[3-[2,3-bis(2-hydroxy-3-methoxypropoxy)propoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]-2-(2-hydroxy-3-methoxypropoxy)propoxy]-3-methoxypropan-2-ol
CID 59187876
1-(3-hexoxy-2-methoxypropoxy)hexane
CID 163381100
[3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 23527263
CID 177268726
CID 177268726
methanesulfonic acid;(2R)-2-methoxy-3-octadecoxypropan-1-ol
CID 71407762
3-(2-methoxyethoxy)propyl-[3-(2-methoxyethoxy)propyl-dimethylsilyl]oxy-dimethylsilane
CID 58607575

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate?
The IUPAC name of [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate (CID 87590933) is [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate.
What is the SMILES notation for [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate?
The canonical SMILES for [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate is COCC(COCCC[Si](C)(C)OC(C)=O)OC.
What is the InChIKey of [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate?
The InChIKey is GCQQTHOEMCTSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O5Si/c1-11(13)17-18(4,5)8-6-7-16-10-12(15-3)9-14-2/h12H,6-10H2,1-5H3.
What are the key properties of [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate?
[3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate has a molecular weight of 278.42 g/mol, XLogP of 1.82, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dimethoxypropoxy)propyl-dimethylsilyl] acetate is sourced from PubChem (CID 87590933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).