(3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene

C15H20S — CID 89016438

IUPAC(3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene
SMILESC=C/C(C)=C\C=C1/CSC(/C=C\C)=C1CC
InChIInChI=1S/C15H20S/c1-5-8-15-14(7-3)13(11-16-15)10-9-12(4)6-2/h5-6,8-10H,2,7,11H2,1,3-4H3/b8-5-,12-9-,13-10+
InChIKeyATXAXGZAKOARLW-LEASGOPWSA-N
MW232.39 g/mol
LogP5.03
Rot. Bonds4

About (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene

(3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene (PubChem CID 89016438) has the molecular formula C15H20S and a molecular weight of 232.39 g/mol. Its IUPAC name is (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene.

Molecular Properties

Compound Name(3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene
PubChem CID89016438
Molecular FormulaC15H20S
Molecular Weight232.39 g/mol
Exact Mass232.13
IUPAC Name(3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene
SMILESC=C/C(C)=C\C=C1/CSC(/C=C\C)=C1CC
InChIInChI=1S/C15H20S/c1-5-8-15-14(7-3)13(11-16-15)10-9-12(4)6-2/h5-6,8-10H,2,7,11H2,1,3-4H3/b8-5-,12-9-,13-10+
InChIKeyATXAXGZAKOARLW-LEASGOPWSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.39
LogP ≤ 55.03
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 (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene?
The IUPAC name of (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene (CID 89016438) is (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene.
What is the SMILES notation for (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene?
The canonical SMILES for (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene is C=C/C(C)=C\C=C1/CSC(/C=C\C)=C1CC.
What is the InChIKey of (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene?
The InChIKey is ATXAXGZAKOARLW-LEASGOPWSA-N. The full InChI is InChI=1S/C15H20S/c1-5-8-15-14(7-3)13(11-16-15)10-9-12(4)6-2/h5-6,8-10H,2,7,11H2,1,3-4H3/b8-5-,12-9-,13-10+.
What are the key properties of (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene?
(3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene has a molecular weight of 232.39 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethyl-3-[(2Z)-3-methylpenta-2,4-dienylidene]-5-[(Z)-prop-1-enyl]thiophene is sourced from PubChem (CID 89016438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).