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

C11H14O4 — CID 155569338

IUPAC(4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
SMILESC/C=C1\COC(OC)C2=C1CCOC2=O
InChIInChI=1S/C11H14O4/c1-3-7-6-15-11(13-2)9-8(7)4-5-14-10(9)12/h3,11H,4-6H2,1-2H3/b7-3+
InChIKeyWJWUZBXBSOJHOD-XVNBXDOJSA-N
MW210.23 g/mol
LogP1.18
Rot. Bonds1

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

(4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one (PubChem CID 155569338) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one.

Molecular Properties

Compound Name(4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
PubChem CID155569338
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
SMILESC/C=C1\COC(OC)C2=C1CCOC2=O
InChIInChI=1S/C11H14O4/c1-3-7-6-15-11(13-2)9-8(7)4-5-14-10(9)12/h3,11H,4-6H2,1-2H3/b7-3+
InChIKeyWJWUZBXBSOJHOD-XVNBXDOJSA-N
XLogP1.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The IUPAC name of (4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one (CID 155569338) is (4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one.
What is the SMILES notation for (4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The canonical SMILES for (4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one is C/C=C1\COC(OC)C2=C1CCOC2=O.
What is the InChIKey of (4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
The InChIKey is WJWUZBXBSOJHOD-XVNBXDOJSA-N. The full InChI is InChI=1S/C11H14O4/c1-3-7-6-15-11(13-2)9-8(7)4-5-14-10(9)12/h3,11H,4-6H2,1-2H3/b7-3+.
What are the key properties of (4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one?
(4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one has a molecular weight of 210.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one is sourced from PubChem (CID 155569338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).