(1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one

C15H14OS2 — CID 44582166

IUPAC(1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one
SMILESCc1ccsc1/C=C/C(=O)/C=C/c1sccc1C
InChIInChI=1S/C15H14OS2/c1-11-7-9-17-14(11)5-3-13(16)4-6-15-12(2)8-10-18-15/h3-10H,1-2H3/b5-3+,6-4+
InChIKeyZLAIKOZCOMUVFE-GGWOSOGESA-N
MW274.41 g/mol
LogP4.72
Rot. Bonds4

About (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one (PubChem CID 44582166) has the molecular formula C15H14OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one
PubChem CID44582166
Molecular FormulaC15H14OS2
Molecular Weight274.41 g/mol
Exact Mass274.05
IUPAC Name(1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one
SMILESCc1ccsc1/C=C/C(=O)/C=C/c1sccc1C
InChIInChI=1S/C15H14OS2/c1-11-7-9-17-14(11)5-3-13(16)4-6-15-12(2)8-10-18-15/h3-10H,1-2H3/b5-3+,6-4+
InChIKeyZLAIKOZCOMUVFE-GGWOSOGESA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Tenylidone
CID 1550999
Cct007093
CID 2314623
4-(2-Thienyl)-3-buten-2-one
CID 735949
2,6-Bis(thiophen-2-ylmethylidene)cyclohexan-1-one
CID 72068
1,3-Di(thiophen-2-yl)prop-2-en-1-one
CID 97893
1,3-Di-2-thienyl-2-propen-1-one
CID 5463038
Sdccgsbi-0633807.P001
CID 44828491
Bis(3-methyl-2-thienyl)methanone
CID 901526
2,3-Dihydrothieno[3,2-d]thiopyrano[3,2-b]thiopyran-4(6H)-one
CID 360916
1,5-Bis-(2-thienyl)-1,4-pentadien-3-one
CID 5399105
2-Thienyl(3-thienyl)methanone
CID 248646
Cyclopentanone, 2,5-bis(2-thienylmethylene)-
CID 2806572

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one (CID 44582166) is (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one is Cc1ccsc1/C=C/C(=O)/C=C/c1sccc1C.
What is the InChIKey of (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one?
The InChIKey is ZLAIKOZCOMUVFE-GGWOSOGESA-N. The full InChI is InChI=1S/C15H14OS2/c1-11-7-9-17-14(11)5-3-13(16)4-6-15-12(2)8-10-18-15/h3-10H,1-2H3/b5-3+,6-4+.
What are the key properties of (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one has a molecular weight of 274.41 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(3-methylthiophen-2-yl)penta-1,4-dien-3-one is sourced from PubChem (CID 44582166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).