3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene

C10H12S — CID 138978813

IUPAC3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene
SMILESC/C=C(C)/C=C/c1ccsc1
InChIInChI=1S/C10H12S/c1-3-9(2)4-5-10-6-7-11-8-10/h3-8H,1-2H3/b5-4+,9-3+
InChIKeyIEUAKVIAFDQZDE-ISPHYHJQSA-N
MW164.27 g/mol
LogP3.73
Rot. Bonds2

About 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene

3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene (PubChem CID 138978813) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene.

Molecular Properties

Compound Name3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene
PubChem CID138978813
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene
SMILESC/C=C(C)/C=C/c1ccsc1
InChIInChI=1S/C10H12S/c1-3-9(2)4-5-10-6-7-11-8-10/h3-8H,1-2H3/b5-4+,9-3+
InChIKeyIEUAKVIAFDQZDE-ISPHYHJQSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene?
The IUPAC name of 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene (CID 138978813) is 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene.
What is the SMILES notation for 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene?
The canonical SMILES for 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene is C/C=C(C)/C=C/c1ccsc1.
What is the InChIKey of 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene?
The InChIKey is IEUAKVIAFDQZDE-ISPHYHJQSA-N. The full InChI is InChI=1S/C10H12S/c1-3-9(2)4-5-10-6-7-11-8-10/h3-8H,1-2H3/b5-4+,9-3+.
What are the key properties of 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene?
3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene has a molecular weight of 164.27 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E,3E)-3-methylpenta-1,3-dienyl]thiophene is sourced from PubChem (CID 138978813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).