(3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate

C11H16O6 — CID 567640

IUPAC(3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
SMILESCOC1C=CC(OC(C)=O)C(COC(C)=O)O1
InChIInChI=1S/C11H16O6/c1-7(12)15-6-10-9(16-8(2)13)4-5-11(14-3)17-10/h4-5,9-11H,6H2,1-3H3
InChIKeyVSLFAGQONKVTAA-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.41
Rot. Bonds4

About (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate

(3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate (PubChem CID 567640) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate.

Molecular Properties

Compound Name(3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
PubChem CID567640
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name(3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
SMILESCOC1C=CC(OC(C)=O)C(COC(C)=O)O1
InChIInChI=1S/C11H16O6/c1-7(12)15-6-10-9(16-8(2)13)4-5-11(14-3)17-10/h4-5,9-11H,6H2,1-3H3
InChIKeyVSLFAGQONKVTAA-UHFFFAOYSA-N
XLogP0.41
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate?
The IUPAC name of (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate (CID 567640) is (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate.
What is the SMILES notation for (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate?
The canonical SMILES for (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate is COC1C=CC(OC(C)=O)C(COC(C)=O)O1.
What is the InChIKey of (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate?
The InChIKey is VSLFAGQONKVTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-7(12)15-6-10-9(16-8(2)13)4-5-11(14-3)17-10/h4-5,9-11H,6H2,1-3H3.
What are the key properties of (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate?
(3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate has a molecular weight of 244.24 g/mol, XLogP of 0.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-6-methoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate is sourced from PubChem (CID 567640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).