4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one

C12H16O5 — CID 72737878

IUPAC4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
SMILESCC=C1C2=C(C(=O)OCC2)C(OC)OC1OC
InChIInChI=1S/C12H16O5/c1-4-7-8-5-6-16-10(13)9(8)12(15-3)17-11(7)14-2/h4,11-12H,5-6H2,1-3H3
InChIKeyJAYIAMKATBCOIA-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.15
Rot. Bonds2

About 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one

4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one (PubChem CID 72737878) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one.

Molecular Properties

Compound Name4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
PubChem CID72737878
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
SMILESCC=C1C2=C(C(=O)OCC2)C(OC)OC1OC
InChIInChI=1S/C12H16O5/c1-4-7-8-5-6-16-10(13)9(8)12(15-3)17-11(7)14-2/h4,11-12H,5-6H2,1-3H3
InChIKeyJAYIAMKATBCOIA-UHFFFAOYSA-N
XLogP1.15
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The IUPAC name of 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one (CID 72737878) is 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one.
What is the SMILES notation for 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The canonical SMILES for 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one is CC=C1C2=C(C(=O)OCC2)C(OC)OC1OC.
What is the InChIKey of 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The InChIKey is JAYIAMKATBCOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-4-7-8-5-6-16-10(13)9(8)12(15-3)17-11(7)14-2/h4,11-12H,5-6H2,1-3H3.
What are the key properties of 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one has a molecular weight of 240.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-1,3-dimethoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one is sourced from PubChem (CID 72737878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).