ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one

C12H16O3 — CID 143080732

IUPACethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one
SMILESC=C/C=c1/oc(=O)cc(O)/c1=C/C.CC
InChIInChI=1S/C10H10O3.C2H6/c1-3-5-9-7(4-2)8(11)6-10(12)13-9;1-2/h3-6,11H,1H2,2H3;1-2H3/b7-4-,9-5+;
InChIKeyUXCPMTFCXVJZPJ-GXTWMUOHSA-N
MW208.26 g/mol
LogP1.14
Rot. Bonds1

About ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one

ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one (PubChem CID 143080732) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one.

Molecular Properties

Compound Nameethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one
PubChem CID143080732
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Nameethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one
SMILESC=C/C=c1/oc(=O)cc(O)/c1=C/C.CC
InChIInChI=1S/C10H10O3.C2H6/c1-3-5-9-7(4-2)8(11)6-10(12)13-9;1-2/h3-6,11H,1H2,2H3;1-2H3/b7-4-,9-5+;
InChIKeyUXCPMTFCXVJZPJ-GXTWMUOHSA-N
XLogP1.14
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one?
The IUPAC name of ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one (CID 143080732) is ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one.
What is the SMILES notation for ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one?
The canonical SMILES for ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one is C=C/C=c1/oc(=O)cc(O)/c1=C/C.CC.
What is the InChIKey of ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one?
The InChIKey is UXCPMTFCXVJZPJ-GXTWMUOHSA-N. The full InChI is InChI=1S/C10H10O3.C2H6/c1-3-5-9-7(4-2)8(11)6-10(12)13-9;1-2/h3-6,11H,1H2,2H3;1-2H3/b7-4-,9-5+;.
What are the key properties of ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one?
ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5Z,6E)-5-ethylidene-4-hydroxy-6-prop-2-enylidenepyran-2-one is sourced from PubChem (CID 143080732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).