(2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate

C12H20O7Si — CID 66694452

IUPAC(2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate
SMILESCC[Si]1(OC(C)=O)CCCC(OC(C)=O)(OC(C)=O)O1
InChIInChI=1S/C12H20O7Si/c1-5-20(18-11(4)15)8-6-7-12(19-20,16-9(2)13)17-10(3)14/h5-8H2,1-4H3
InChIKeyLFOLGLDQJUFLKC-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.60
Rot. Bonds4

About (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate

(2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate (PubChem CID 66694452) has the molecular formula C12H20O7Si and a molecular weight of 304.37 g/mol. Its IUPAC name is (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate.

Molecular Properties

Compound Name(2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate
PubChem CID66694452
Molecular FormulaC12H20O7Si
Molecular Weight304.37 g/mol
Exact Mass304.10
IUPAC Name(2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate
SMILESCC[Si]1(OC(C)=O)CCCC(OC(C)=O)(OC(C)=O)O1
InChIInChI=1S/C12H20O7Si/c1-5-20(18-11(4)15)8-6-7-12(19-20,16-9(2)13)17-10(3)14/h5-8H2,1-4H3
InChIKeyLFOLGLDQJUFLKC-UHFFFAOYSA-N
XLogP1.60
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate?
The IUPAC name of (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate (CID 66694452) is (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate.
What is the SMILES notation for (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate?
The canonical SMILES for (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate is CC[Si]1(OC(C)=O)CCCC(OC(C)=O)(OC(C)=O)O1.
What is the InChIKey of (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate?
The InChIKey is LFOLGLDQJUFLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O7Si/c1-5-20(18-11(4)15)8-6-7-12(19-20,16-9(2)13)17-10(3)14/h5-8H2,1-4H3.
What are the key properties of (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate?
(2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate has a molecular weight of 304.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diacetyloxy-2-ethyloxasilinan-6-yl) acetate is sourced from PubChem (CID 66694452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).