2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene

C12H14S — CID 142216426

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene
SMILESC=C/C=C\C=C(/C)c1ccc(C)s1
InChIInChI=1S/C12H14S/c1-4-5-6-7-10(2)12-9-8-11(3)13-12/h4-9H,1H2,2-3H3/b6-5-,10-7+
InChIKeyLMJBPDXNIDULFF-ZZWPSLBBSA-N
MW190.31 g/mol
LogP4.20
Rot. Bonds3

About 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene

2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene (PubChem CID 142216426) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene
PubChem CID142216426
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene
SMILESC=C/C=C\C=C(/C)c1ccc(C)s1
InChIInChI=1S/C12H14S/c1-4-5-6-7-10(2)12-9-8-11(3)13-12/h4-9H,1H2,2-3H3/b6-5-,10-7+
InChIKeyLMJBPDXNIDULFF-ZZWPSLBBSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-[(3Z)-hexa-1,3,5-trien-2-yl]-5-methylthiophene
CID 164530728
(1Z)-1-(5-methylthiophen-2-yl)buta-1,3-diene-1-thiol
CID 142100877
2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene
CID 89276075
2-[(2Z,4Z)-hepta-2,4,6-trienyl]-5-methylthiophene
CID 130391131
2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-5-methylthiophene
CID 89097049
(E)-4-(5-methylthiophen-2-yl)pent-3-enoic acid
CID 83957677
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methylbenzene
CID 144614212
1,2-bis(ethenyl)-3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]benzene
CID 142381908
2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
CID 10912143
2-[(E)-1,2-difluoroethenyl]-5-methylthiophene
CID 15970252
5-methyl-N-prop-2-enylthiophene-2-carboxamide
CID 60636458
2-(1-cyclopropylethenyl)-5-methylthiophene
CID 174334500

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene (CID 142216426) is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene is C=C/C=C\C=C(/C)c1ccc(C)s1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene?
The InChIKey is LMJBPDXNIDULFF-ZZWPSLBBSA-N. The full InChI is InChI=1S/C12H14S/c1-4-5-6-7-10(2)12-9-8-11(3)13-12/h4-9H,1H2,2-3H3/b6-5-,10-7+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene?
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene has a molecular weight of 190.31 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene is sourced from PubChem (CID 142216426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).