3-(4-methylpenta-1,4-dienyl)thiophene

C10H12S — CID 54155223

IUPAC3-(4-methylpenta-1,4-dienyl)thiophene
SMILESC=C(C)CC=Cc1ccsc1
InChIInChI=1S/C10H12S/c1-9(2)4-3-5-10-6-7-11-8-10/h3,5-8H,1,4H2,2H3
InChIKeyOKONOWSYEZBVFT-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.73
Rot. Bonds3

About 3-(4-methylpenta-1,4-dienyl)thiophene

3-(4-methylpenta-1,4-dienyl)thiophene (PubChem CID 54155223) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-(4-methylpenta-1,4-dienyl)thiophene.

Molecular Properties

Compound Name3-(4-methylpenta-1,4-dienyl)thiophene
PubChem CID54155223
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name3-(4-methylpenta-1,4-dienyl)thiophene
SMILESC=C(C)CC=Cc1ccsc1
InChIInChI=1S/C10H12S/c1-9(2)4-3-5-10-6-7-11-8-10/h3,5-8H,1,4H2,2H3
InChIKeyOKONOWSYEZBVFT-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpenta-1,4-dienyl)thiophene?
The IUPAC name of 3-(4-methylpenta-1,4-dienyl)thiophene (CID 54155223) is 3-(4-methylpenta-1,4-dienyl)thiophene.
What is the SMILES notation for 3-(4-methylpenta-1,4-dienyl)thiophene?
The canonical SMILES for 3-(4-methylpenta-1,4-dienyl)thiophene is C=C(C)CC=Cc1ccsc1.
What is the InChIKey of 3-(4-methylpenta-1,4-dienyl)thiophene?
The InChIKey is OKONOWSYEZBVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-9(2)4-3-5-10-6-7-11-8-10/h3,5-8H,1,4H2,2H3.
What are the key properties of 3-(4-methylpenta-1,4-dienyl)thiophene?
3-(4-methylpenta-1,4-dienyl)thiophene has a molecular weight of 164.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpenta-1,4-dienyl)thiophene is sourced from PubChem (CID 54155223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).