5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene

C11H14S — CID 134425031

IUPAC5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene
SMILESC=C/C=C(/C)C1=C(C=C)SCC1
InChIInChI=1S/C11H14S/c1-4-6-9(3)10-7-8-12-11(10)5-2/h4-6H,1-2,7-8H2,3H3/b9-6-
InChIKeyKRJZDLPPHWSBNZ-TWGQIWQCSA-N
MW178.30 g/mol
LogP3.70
Rot. Bonds3

About 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene

5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene (PubChem CID 134425031) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene
PubChem CID134425031
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene
SMILESC=C/C=C(/C)C1=C(C=C)SCC1
InChIInChI=1S/C11H14S/c1-4-6-9(3)10-7-8-12-11(10)5-2/h4-6H,1-2,7-8H2,3H3/b9-6-
InChIKeyKRJZDLPPHWSBNZ-TWGQIWQCSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 53.70
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 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene?
The IUPAC name of 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene (CID 134425031) is 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene.
What is the SMILES notation for 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene?
The canonical SMILES for 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene is C=C/C=C(/C)C1=C(C=C)SCC1.
What is the InChIKey of 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene?
The InChIKey is KRJZDLPPHWSBNZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H14S/c1-4-6-9(3)10-7-8-12-11(10)5-2/h4-6H,1-2,7-8H2,3H3/b9-6-.
What are the key properties of 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene?
5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene has a molecular weight of 178.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-[(2Z)-penta-2,4-dien-2-yl]-2,3-dihydrothiophene is sourced from PubChem (CID 134425031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).