4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one

C8H8O4 — CID 10931817

IUPAC4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
SMILESCOC1OCC=C2OC(=O)C=C21
InChIInChI=1S/C8H8O4/c1-10-8-5-4-7(9)12-6(5)2-3-11-8/h2,4,8H,3H2,1H3
InChIKeyVPGCSEQPAOOVGQ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.36
Rot. Bonds1

About 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one

4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one (PubChem CID 10931817) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one.

Molecular Properties

Compound Name4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
PubChem CID10931817
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one
SMILESCOC1OCC=C2OC(=O)C=C21
InChIInChI=1S/C8H8O4/c1-10-8-5-4-7(9)12-6(5)2-3-11-8/h2,4,8H,3H2,1H3
InChIKeyVPGCSEQPAOOVGQ-UHFFFAOYSA-N
XLogP0.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The IUPAC name of 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one (CID 10931817) is 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one.
What is the SMILES notation for 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The canonical SMILES for 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one is COC1OCC=C2OC(=O)C=C21.
What is the InChIKey of 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
The InChIKey is VPGCSEQPAOOVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O4/c1-10-8-5-4-7(9)12-6(5)2-3-11-8/h2,4,8H,3H2,1H3.
What are the key properties of 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one?
4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one has a molecular weight of 168.15 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4,6-dihydrofuro[3,2-c]pyran-2-one is sourced from PubChem (CID 10931817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).