2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene

C10H12S — CID 170081340

IUPAC2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene
SMILESC/C=C(/C=C/C)c1cccs1
InChIInChI=1S/C10H12S/c1-3-6-9(4-2)10-7-5-8-11-10/h3-8H,1-2H3/b6-3+,9-4-
InChIKeyHLNXAKKBPNSSGC-OHUKKYLXSA-N
MW164.27 g/mol
LogP3.73
Rot. Bonds2

About 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene

2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene (PubChem CID 170081340) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene.

Molecular Properties

Compound Name2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene
PubChem CID170081340
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene
SMILESC/C=C(/C=C/C)c1cccs1
InChIInChI=1S/C10H12S/c1-3-6-9(4-2)10-7-5-8-11-10/h3-8H,1-2H3/b6-3+,9-4-
InChIKeyHLNXAKKBPNSSGC-OHUKKYLXSA-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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Related Compounds

(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
(Z)-3-hydroxy-2-thiophen-2-ylprop-2-enal
CID 119093865
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
(E)-2-thiophen-2-ylbut-2-enedial
CID 12654453
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768
acetylene;1-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]thiophen-2-yl]ethanone;methylsulfinylmethane
CID 143385673
2-[(Z)-1-chlorobut-1-enyl]thiophene
CID 102087090
(E)-but-2-enedioic acid;thiophene-2-carboxylic acid
CID 172841521
(E)-4-thiophen-2-ylpent-3-en-1-amine
CID 82074766
N-[(E)-1-thiophen-2-ylprop-1-enyl]acetamide
CID 11041342

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene?
The IUPAC name of 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene (CID 170081340) is 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene.
What is the SMILES notation for 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene?
The canonical SMILES for 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene is C/C=C(/C=C/C)c1cccs1.
What is the InChIKey of 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene?
The InChIKey is HLNXAKKBPNSSGC-OHUKKYLXSA-N. The full InChI is InChI=1S/C10H12S/c1-3-6-9(4-2)10-7-5-8-11-10/h3-8H,1-2H3/b6-3+,9-4-.
What are the key properties of 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene?
2-[(2Z,4E)-hexa-2,4-dien-3-yl]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 2-[(2Z,4E)-hexa-2,4-dien-3-yl]thiophene is sourced from PubChem (CID 170081340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).