2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene

C11H14S — CID 156698517

IUPAC2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
SMILESCC/C=C\C/C=C\c1cccs1
InChIInChI=1S/C11H14S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h3-4,6-10H,2,5H2,1H3/b4-3-,8-6-
InChIKeySIDBMTXTXXSLIP-XYMCEGRYSA-N
MW178.30 g/mol
LogP4.12
Rot. Bonds4

About 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene

2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene (PubChem CID 156698517) has the molecular formula C11H14S and a molecular weight of 178.30 g/mol. Its IUPAC name is 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene.

Molecular Properties

Compound Name2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
PubChem CID156698517
Molecular FormulaC11H14S
Molecular Weight178.30 g/mol
Exact Mass178.08
IUPAC Name2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene
SMILESCC/C=C\C/C=C\c1cccs1
InChIInChI=1S/C11H14S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h3-4,6-10H,2,5H2,1H3/b4-3-,8-6-
InChIKeySIDBMTXTXXSLIP-XYMCEGRYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene 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

(2E,5E)-N,N-dimethyl-6-thiophen-2-ylhexa-2,5-dien-1-amine
CID 20603575
(Z)-N,N-dimethyl-3-thiophen-2-ylprop-2-en-1-amine
CID 5452261
2-(4-chlorobut-1-enyl)thiophene
CID 79002392
4-thiophen-2-ylbut-3-enenitrile
CID 170799049
(E)-2-thiophen-2-ylethenol
CID 89297537
S-[(E)-3-thiophen-2-ylprop-2-enyl] ethanethioate
CID 71663485
[(E)-3-thiophen-2-ylprop-2-enyl] acetate
CID 11298325
5-thiophen-2-ylpenta-2,4-dien-1-ol
CID 54372046
(NZ)-N-[(E)-1-thiophen-2-ylpent-1-en-3-ylidene]hydroxylamine
CID 87646999
N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 89344655
N,N-dimethyl-1-phenyl-4-thiophen-2-ylbut-3-en-1-amine
CID 139632410
N,N-diethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 101038849

Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene?
The IUPAC name of 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene (CID 156698517) is 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene.
What is the SMILES notation for 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene?
The canonical SMILES for 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene is CC/C=C\C/C=C\c1cccs1.
What is the InChIKey of 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene?
The InChIKey is SIDBMTXTXXSLIP-XYMCEGRYSA-N. The full InChI is InChI=1S/C11H14S/c1-2-3-4-5-6-8-11-9-7-10-12-11/h3-4,6-10H,2,5H2,1H3/b4-3-,8-6-.
What are the key properties of 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene?
2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene has a molecular weight of 178.30 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,4Z)-hepta-1,4-dienyl]thiophene is sourced from PubChem (CID 156698517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).