(6-acetyloxyoxan-2-yl)methyl acetate

C10H16O5 — CID 135013331

IUPAC(6-acetyloxyoxan-2-yl)methyl acetate
SMILESCC(=O)OCC1CCCC(OC(C)=O)O1
InChIInChI=1S/C10H16O5/c1-7(11)13-6-9-4-3-5-10(15-9)14-8(2)12/h9-10H,3-6H2,1-2H3
InChIKeyRNFGQQHXVXNTRB-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.01
Rot. Bonds3

About (6-acetyloxyoxan-2-yl)methyl acetate

(6-acetyloxyoxan-2-yl)methyl acetate (PubChem CID 135013331) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (6-acetyloxyoxan-2-yl)methyl acetate.

Molecular Properties

Compound Name(6-acetyloxyoxan-2-yl)methyl acetate
PubChem CID135013331
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(6-acetyloxyoxan-2-yl)methyl acetate
SMILESCC(=O)OCC1CCCC(OC(C)=O)O1
InChIInChI=1S/C10H16O5/c1-7(11)13-6-9-4-3-5-10(15-9)14-8(2)12/h9-10H,3-6H2,1-2H3
InChIKeyRNFGQQHXVXNTRB-UHFFFAOYSA-N
XLogP1.01
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-acetyloxyoxan-2-yl)methyl acetate?
The IUPAC name of (6-acetyloxyoxan-2-yl)methyl acetate (CID 135013331) is (6-acetyloxyoxan-2-yl)methyl acetate.
What is the SMILES notation for (6-acetyloxyoxan-2-yl)methyl acetate?
The canonical SMILES for (6-acetyloxyoxan-2-yl)methyl acetate is CC(=O)OCC1CCCC(OC(C)=O)O1.
What is the InChIKey of (6-acetyloxyoxan-2-yl)methyl acetate?
The InChIKey is RNFGQQHXVXNTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-7(11)13-6-9-4-3-5-10(15-9)14-8(2)12/h9-10H,3-6H2,1-2H3.
What are the key properties of (6-acetyloxyoxan-2-yl)methyl acetate?
(6-acetyloxyoxan-2-yl)methyl acetate has a molecular weight of 216.23 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-acetyloxyoxan-2-yl)methyl acetate is sourced from PubChem (CID 135013331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).