2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene

C12H14OS — CID 142097288

IUPAC2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene
SMILESC/C=C\C=C/C=C/Oc1ccc(C)s1
InChIInChI=1S/C12H14OS/c1-3-4-5-6-7-10-13-12-9-8-11(2)14-12/h3-10H,1-2H3/b4-3-,6-5-,10-7+
InChIKeyQQETVARVIGYLKA-PZOXCDAASA-N
MW206.31 g/mol
LogP4.08
Rot. Bonds4

About 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene

2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene (PubChem CID 142097288) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene.

Molecular Properties

Compound Name2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene
PubChem CID142097288
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene
SMILESC/C=C\C=C/C=C/Oc1ccc(C)s1
InChIInChI=1S/C12H14OS/c1-3-4-5-6-7-10-13-12-9-8-11(2)14-12/h3-10H,1-2H3/b4-3-,6-5-,10-7+
InChIKeyQQETVARVIGYLKA-PZOXCDAASA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-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

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene?
The IUPAC name of 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene (CID 142097288) is 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene.
What is the SMILES notation for 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene?
The canonical SMILES for 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene is C/C=C\C=C/C=C/Oc1ccc(C)s1.
What is the InChIKey of 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene?
The InChIKey is QQETVARVIGYLKA-PZOXCDAASA-N. The full InChI is InChI=1S/C12H14OS/c1-3-4-5-6-7-10-13-12-9-8-11(2)14-12/h3-10H,1-2H3/b4-3-,6-5-,10-7+.
What are the key properties of 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene?
2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene has a molecular weight of 206.31 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E,3Z,5Z)-hepta-1,3,5-trienoxy]-5-methylthiophene is sourced from PubChem (CID 142097288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).