(4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one

C12H16O4 — CID 167440373

IUPAC(4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
SMILESC/C=C1/C2=C(COC1OCC)C(=O)OCC2
InChIInChI=1S/C12H16O4/c1-3-8-9-5-6-15-11(13)10(9)7-16-12(8)14-4-2/h3,12H,4-7H2,1-2H3/b8-3-
InChIKeyFSSPEMSJCHPANM-BAQGIRSFSA-N
MW224.26 g/mol
LogP1.57
Rot. Bonds2

About (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one

(4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one (PubChem CID 167440373) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one.

Molecular Properties

Compound Name(4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
PubChem CID167440373
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name(4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
SMILESC/C=C1/C2=C(COC1OCC)C(=O)OCC2
InChIInChI=1S/C12H16O4/c1-3-8-9-5-6-15-11(13)10(9)7-16-12(8)14-4-2/h3,12H,4-7H2,1-2H3/b8-3-
InChIKeyFSSPEMSJCHPANM-BAQGIRSFSA-N
XLogP1.57
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The IUPAC name of (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one (CID 167440373) is (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one.
What is the SMILES notation for (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The canonical SMILES for (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one is C/C=C1/C2=C(COC1OCC)C(=O)OCC2.
What is the InChIKey of (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The InChIKey is FSSPEMSJCHPANM-BAQGIRSFSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-8-9-5-6-15-11(13)10(9)7-16-12(8)14-4-2/h3,12H,4-7H2,1-2H3/b8-3-.
What are the key properties of (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
(4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one has a molecular weight of 224.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-ethoxy-4-ethylidene-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one is sourced from PubChem (CID 167440373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).