(8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate

C14H16O7 — CID 6709712

IUPAC(8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate
SMILESCC(=O)OCC1OC2OCC3=CC(=O)C(C1OC(C)=O)C32
InChIInChI=1S/C14H16O7/c1-6(15)18-5-10-13(20-7(2)16)12-9(17)3-8-4-19-14(21-10)11(8)12/h3,10-14H,4-5H2,1-2H3
InChIKeyMOONENKAIYEQFX-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.02
Rot. Bonds3

About (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate

(8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate (PubChem CID 6709712) has the molecular formula C14H16O7 and a molecular weight of 296.28 g/mol. Its IUPAC name is (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate.

Molecular Properties

Compound Name(8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate
PubChem CID6709712
Molecular FormulaC14H16O7
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Name(8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate
SMILESCC(=O)OCC1OC2OCC3=CC(=O)C(C1OC(C)=O)C32
InChIInChI=1S/C14H16O7/c1-6(15)18-5-10-13(20-7(2)16)12-9(17)3-8-4-19-14(21-10)11(8)12/h3,10-14H,4-5H2,1-2H3
InChIKeyMOONENKAIYEQFX-UHFFFAOYSA-N
XLogP-0.02
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate?
The IUPAC name of (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate (CID 6709712) is (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate.
What is the SMILES notation for (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate?
The canonical SMILES for (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate is CC(=O)OCC1OC2OCC3=CC(=O)C(C1OC(C)=O)C32.
What is the InChIKey of (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate?
The InChIKey is MOONENKAIYEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O7/c1-6(15)18-5-10-13(20-7(2)16)12-9(17)3-8-4-19-14(21-10)11(8)12/h3,10-14H,4-5H2,1-2H3.
What are the key properties of (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate?
(8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate has a molecular weight of 296.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetyloxy-6-oxo-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-9-yl)methyl acetate is sourced from PubChem (CID 6709712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).