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

C10H14O5 — CID 14062907

IUPAC(3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
SMILESCC(=O)OCC1OCC=CC1OC(C)=O
InChIInChI=1S/C10H14O5/c1-7(11)14-6-10-9(15-8(2)12)4-3-5-13-10/h3-4,9-10H,5-6H2,1-2H3
InChIKeyXICQRHJROALDID-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.44
Rot. Bonds3

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

(3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate (PubChem CID 14062907) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate.

Molecular Properties

Compound Name(3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
PubChem CID14062907
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate
SMILESCC(=O)OCC1OCC=CC1OC(C)=O
InChIInChI=1S/C10H14O5/c1-7(11)14-6-10-9(15-8(2)12)4-3-5-13-10/h3-4,9-10H,5-6H2,1-2H3
InChIKeyXICQRHJROALDID-UHFFFAOYSA-N
XLogP0.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-3,6-dihydro-2H-pyran-2-yl)methyl acetate?
The IUPAC name of (3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate (CID 14062907) is (3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate.
What is the SMILES notation for (3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate?
The canonical SMILES for (3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate is CC(=O)OCC1OCC=CC1OC(C)=O.
What is the InChIKey of (3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate?
The InChIKey is XICQRHJROALDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-7(11)14-6-10-9(15-8(2)12)4-3-5-13-10/h3-4,9-10H,5-6H2,1-2H3.
What are the key properties of (3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate?
(3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate has a molecular weight of 214.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate is sourced from PubChem (CID 14062907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).