(5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one

C10H12O2 — CID 130271313

IUPAC(5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one
SMILESC/C=c1/c(C)cc(=O)o/c1=C/C
InChIInChI=1S/C10H12O2/c1-4-8-7(3)6-10(11)12-9(8)5-2/h4-6H,1-3H3/b8-4-,9-5+
InChIKeyQMSHJJGWCGPSBD-MVTUOISNSA-N
MW164.20 g/mol
LogP0.55
Rot. Bonds

About (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one

(5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one (PubChem CID 130271313) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one.

Molecular Properties

Compound Name(5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one
PubChem CID130271313
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name(5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one
SMILESC/C=c1/c(C)cc(=O)o/c1=C/C
InChIInChI=1S/C10H12O2/c1-4-8-7(3)6-10(11)12-9(8)5-2/h4-6H,1-3H3/b8-4-,9-5+
InChIKeyQMSHJJGWCGPSBD-MVTUOISNSA-N
XLogP0.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one?
The IUPAC name of (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one (CID 130271313) is (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one.
What is the SMILES notation for (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one?
The canonical SMILES for (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one is C/C=c1/c(C)cc(=O)o/c1=C/C.
What is the InChIKey of (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one?
The InChIKey is QMSHJJGWCGPSBD-MVTUOISNSA-N. The full InChI is InChI=1S/C10H12O2/c1-4-8-7(3)6-10(11)12-9(8)5-2/h4-6H,1-3H3/b8-4-,9-5+.
What are the key properties of (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one?
(5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one has a molecular weight of 164.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-5,6-di(ethylidene)-4-methylpyran-2-one is sourced from PubChem (CID 130271313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).