2-hex-4-enylthiophene

C10H14S — CID 54062491

IUPAC2-hex-4-enylthiophene
SMILESCC=CCCCc1cccs1
InChIInChI=1S/C10H14S/c1-2-3-4-5-7-10-8-6-9-11-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyTZAFMBYHMAAVGE-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.65
Rot. Bonds4

About 2-hex-4-enylthiophene

2-hex-4-enylthiophene (PubChem CID 54062491) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 2-hex-4-enylthiophene.

Molecular Properties

Compound Name2-hex-4-enylthiophene
PubChem CID54062491
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name2-hex-4-enylthiophene
SMILESCC=CCCCc1cccs1
InChIInChI=1S/C10H14S/c1-2-3-4-5-7-10-8-6-9-11-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyTZAFMBYHMAAVGE-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(8-phenyloct-4-enyl)thiophene
CID 70351967
ethane;2-pentylthiophene
CID 143883800
2-butylthiophene;methanamine
CID 143080300
diethyl 2-[(E)-6-thiophen-2-ylhex-2-enyl]propanedioate
CID 15054086
3-thiophen-2-ylpropan-1-ol
CID 13109866
(E)-N-(1-thiophen-2-ylpropan-2-yl)pent-3-en-1-amine
CID 115890239
methane;2-undecylthiophene
CID 175504380
2-(4-fluorobutyl)thiophene
CID 67851736
N,N-dimethyl-4-thiophen-2-ylbutan-1-amine
CID 67930635
5-oxo-N-(3-thiophen-2-ylpropyl)hexanamide
CID 144920925
N-(3-thiophen-2-ylpropyl)hex-5-en-2-amine
CID 104583720
N'-methyl-5-thiophen-2-ylpentanehydrazide
CID 116846588

Frequently Asked Questions

What is the IUPAC name of 2-hex-4-enylthiophene?
The IUPAC name of 2-hex-4-enylthiophene (CID 54062491) is 2-hex-4-enylthiophene.
What is the SMILES notation for 2-hex-4-enylthiophene?
The canonical SMILES for 2-hex-4-enylthiophene is CC=CCCCc1cccs1.
What is the InChIKey of 2-hex-4-enylthiophene?
The InChIKey is TZAFMBYHMAAVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-2-3-4-5-7-10-8-6-9-11-10/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of 2-hex-4-enylthiophene?
2-hex-4-enylthiophene has a molecular weight of 166.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-4-enylthiophene is sourced from PubChem (CID 54062491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).