(4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate

C11H16O5 — CID 71085490

IUPAC(4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate
SMILESCC(=O)OCC1C(C)OC=CC1OC(C)=O
InChIInChI=1S/C11H16O5/c1-7-10(6-15-8(2)12)11(4-5-14-7)16-9(3)13/h4-5,7,10-11H,6H2,1-3H3
InChIKeyDALBLECTVWXIAK-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.03
Rot. Bonds3

About (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate

(4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate (PubChem CID 71085490) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate.

Molecular Properties

Compound Name(4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate
PubChem CID71085490
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate
SMILESCC(=O)OCC1C(C)OC=CC1OC(C)=O
InChIInChI=1S/C11H16O5/c1-7-10(6-15-8(2)12)11(4-5-14-7)16-9(3)13/h4-5,7,10-11H,6H2,1-3H3
InChIKeyDALBLECTVWXIAK-UHFFFAOYSA-N
XLogP1.03
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate?
The IUPAC name of (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate (CID 71085490) is (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate.
What is the SMILES notation for (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate?
The canonical SMILES for (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate is CC(=O)OCC1C(C)OC=CC1OC(C)=O.
What is the InChIKey of (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate?
The InChIKey is DALBLECTVWXIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-7-10(6-15-8(2)12)11(4-5-14-7)16-9(3)13/h4-5,7,10-11H,6H2,1-3H3.
What are the key properties of (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate?
(4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate has a molecular weight of 228.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-3-yl)methyl acetate is sourced from PubChem (CID 71085490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).