[acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate

C12H22O5Si — CID 173159520

IUPAC[acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate
SMILESCC(=O)OC(OC(C)=O)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C12H22O5Si/c1-9(13)16-11(17-10(2)14)12(18(3)4)7-5-6-8-15-12/h11,18H,5-8H2,1-4H3
InChIKeyTYESHYNYSHCDTI-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.40
Rot. Bonds4

About [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate

[acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate (PubChem CID 173159520) has the molecular formula C12H22O5Si and a molecular weight of 274.39 g/mol. Its IUPAC name is [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate
PubChem CID173159520
Molecular FormulaC12H22O5Si
Molecular Weight274.39 g/mol
Exact Mass274.12
IUPAC Name[acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate
SMILESCC(=O)OC(OC(C)=O)C1([SiH](C)C)CCCCO1
InChIInChI=1S/C12H22O5Si/c1-9(13)16-11(17-10(2)14)12(18(3)4)7-5-6-8-15-12/h11,18H,5-8H2,1-4H3
InChIKeyTYESHYNYSHCDTI-UHFFFAOYSA-N
XLogP1.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethenyl 2-(2-dimethylsilyloxan-2-yl)butanoate
CID 173263877
1-(2-dimethylsilyloxan-2-yl)propane-1-thiol
CID 173222317
1-(1-methylcyclohexyl)ethyl acetate
CID 140967924
dimethyl-[2-[1-methylsulfanyl-3-(2-silyloxan-2-yl)propyl]oxan-2-yl]silane
CID 174962208
(1-hydroxycyclooctyl) acetate
CID 91039609
CID 175359532
CID 175359532
dimethyl-(2-silyloxan-2-yl)oxysilane
CID 174849883
2-dimethylsilyloxane-2-thiol
CID 123513196
2-methyl-3-(2-methyloxan-2-yl)oxypropanoic acid
CID 139751509
dimethyl-(2-silyloxan-2-yl)oxysilane;hydron
CID 174854703
1-(1-ethylcyclohexyl)butyl acetate
CID 170557239
1-(2-dimethylsilyloxan-2-yl)-4-hydroxybut-2-en-1-one
CID 123142004

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate?
The IUPAC name of [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate (CID 173159520) is [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate.
What is the SMILES notation for [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate?
The canonical SMILES for [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate is CC(=O)OC(OC(C)=O)C1([SiH](C)C)CCCCO1.
What is the InChIKey of [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate?
The InChIKey is TYESHYNYSHCDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5Si/c1-9(13)16-11(17-10(2)14)12(18(3)4)7-5-6-8-15-12/h11,18H,5-8H2,1-4H3.
What are the key properties of [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate?
[acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate has a molecular weight of 274.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(2-dimethylsilyloxan-2-yl)methyl] acetate is sourced from PubChem (CID 173159520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).