(2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate

C7H16O3Si2 — CID 123773519

IUPAC(2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate
SMILESCC(=O)OC1C[SiH](C)O[SiH](C)C1
InChIInChI=1S/C7H16O3Si2/c1-6(8)9-7-4-11(2)10-12(3)5-7/h7,11-12H,4-5H2,1-3H3
InChIKeyVTGZLNJYXMHRGV-UHFFFAOYSA-N
MW204.37 g/mol
LogP0.66
Rot. Bonds1

About (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate

(2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate (PubChem CID 123773519) has the molecular formula C7H16O3Si2 and a molecular weight of 204.37 g/mol. Its IUPAC name is (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate.

Molecular Properties

Compound Name(2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate
PubChem CID123773519
Molecular FormulaC7H16O3Si2
Molecular Weight204.37 g/mol
Exact Mass204.06
IUPAC Name(2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate
SMILESCC(=O)OC1C[SiH](C)O[SiH](C)C1
InChIInChI=1S/C7H16O3Si2/c1-6(8)9-7-4-11(2)10-12(3)5-7/h7,11-12H,4-5H2,1-3H3
InChIKeyVTGZLNJYXMHRGV-UHFFFAOYSA-N
XLogP0.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.37
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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azane;cyclohexyl acetate
CID 174554221
cyclohexyl acetate;dihydrochloride
CID 140971070
[(1R,3S)-3-acetyloxy-5-bromocyclohexyl] acetate
CID 134901795
lithium;carbanide;cyclohexyl acetate
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1,4-dioxaspiro[4.5]decan-8-yl acetate
CID 45037040
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate?
The IUPAC name of (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate (CID 123773519) is (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate.
What is the SMILES notation for (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate?
The canonical SMILES for (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate is CC(=O)OC1C[SiH](C)O[SiH](C)C1.
What is the InChIKey of (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate?
The InChIKey is VTGZLNJYXMHRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O3Si2/c1-6(8)9-7-4-11(2)10-12(3)5-7/h7,11-12H,4-5H2,1-3H3.
What are the key properties of (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate?
(2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate has a molecular weight of 204.37 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-1,2,6-oxadisilinan-4-yl) acetate is sourced from PubChem (CID 123773519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).