(5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane

C12H18O2 — CID 144546063

IUPAC(5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane
SMILESC/C=c1/cc(C)c(=O)o/c1=C/C.CC
InChIInChI=1S/C10H12O2.C2H6/c1-4-8-6-7(3)10(11)12-9(8)5-2;1-2/h4-6H,1-3H3;1-2H3/b8-4-,9-5+;
InChIKeyXODGPDRMNIRGRV-UZKJHERWSA-N
MW194.27 g/mol
LogP1.58
Rot. Bonds

About (5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane

(5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane (PubChem CID 144546063) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is (5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane.

Molecular Properties

Compound Name(5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane
PubChem CID144546063
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name(5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane
SMILESC/C=c1/cc(C)c(=O)o/c1=C/C.CC
InChIInChI=1S/C10H12O2.C2H6/c1-4-8-6-7(3)10(11)12-9(8)5-2;1-2/h4-6H,1-3H3;1-2H3/b8-4-,9-5+;
InChIKeyXODGPDRMNIRGRV-UZKJHERWSA-N
XLogP1.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.58
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)-3-methylpyran-2-one;ethane?
The IUPAC name of (5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane (CID 144546063) is (5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane.
What is the SMILES notation for (5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane?
The canonical SMILES for (5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane is C/C=c1/cc(C)c(=O)o/c1=C/C.CC.
What is the InChIKey of (5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane?
The InChIKey is XODGPDRMNIRGRV-UZKJHERWSA-N. The full InChI is InChI=1S/C10H12O2.C2H6/c1-4-8-6-7(3)10(11)12-9(8)5-2;1-2/h4-6H,1-3H3;1-2H3/b8-4-,9-5+;.
What are the key properties of (5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane?
(5Z,6E)-5,6-di(ethylidene)-3-methylpyran-2-one;ethane has a molecular weight of 194.27 g/mol, XLogP of 1.58, 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)-3-methylpyran-2-one;ethane is sourced from PubChem (CID 144546063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).