(2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene

C12H16S — CID 139376150

IUPAC(2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene
SMILESC=C/C(C)=C\C=C1/CC=C(CC)S1
InChIInChI=1S/C12H16S/c1-4-10(3)6-7-12-9-8-11(5-2)13-12/h4,6-8H,1,5,9H2,2-3H3/b10-6-,12-7+
InChIKeyJUKLMOGXWLDSPP-KMJJTFSOSA-N
MW192.33 g/mol
LogP4.43
Rot. Bonds3

About (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene

(2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene (PubChem CID 139376150) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene.

Molecular Properties

Compound Name(2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene
PubChem CID139376150
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name(2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene
SMILESC=C/C(C)=C\C=C1/CC=C(CC)S1
InChIInChI=1S/C12H16S/c1-4-10(3)6-7-12-9-8-11(5-2)13-12/h4,6-8H,1,5,9H2,2-3H3/b10-6-,12-7+
InChIKeyJUKLMOGXWLDSPP-KMJJTFSOSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene?
The IUPAC name of (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene (CID 139376150) is (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene.
What is the SMILES notation for (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene?
The canonical SMILES for (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene is C=C/C(C)=C\C=C1/CC=C(CC)S1.
What is the InChIKey of (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene?
The InChIKey is JUKLMOGXWLDSPP-KMJJTFSOSA-N. The full InChI is InChI=1S/C12H16S/c1-4-10(3)6-7-12-9-8-11(5-2)13-12/h4,6-8H,1,5,9H2,2-3H3/b10-6-,12-7+.
What are the key properties of (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene?
(2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene has a molecular weight of 192.33 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-ethyl-2-[(2Z)-3-methylpenta-2,4-dienylidene]-3H-thiophene is sourced from PubChem (CID 139376150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).