2-ethenyl-5-hexylthiophene

C12H18S — CID 102047565

IUPAC2-ethenyl-5-hexylthiophene
SMILESC=Cc1ccc(CCCCCC)s1
InChIInChI=1S/C12H18S/c1-3-5-6-7-8-12-10-9-11(4-2)13-12/h4,9-10H,2-3,5-8H2,1H3
InChIKeyYPRKDTHYOUHTRS-UHFFFAOYSA-N
MW194.34 g/mol
LogP4.51
Rot. Bonds6

About 2-ethenyl-5-hexylthiophene

2-ethenyl-5-hexylthiophene (PubChem CID 102047565) has the molecular formula C12H18S and a molecular weight of 194.34 g/mol. Its IUPAC name is 2-ethenyl-5-hexylthiophene.

Molecular Properties

Compound Name2-ethenyl-5-hexylthiophene
PubChem CID102047565
Molecular FormulaC12H18S
Molecular Weight194.34 g/mol
Exact Mass194.11
IUPAC Name2-ethenyl-5-hexylthiophene
SMILESC=Cc1ccc(CCCCCC)s1
InChIInChI=1S/C12H18S/c1-3-5-6-7-8-12-10-9-11(4-2)13-12/h4,9-10H,2-3,5-8H2,1H3
InChIKeyYPRKDTHYOUHTRS-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[(1E,3E)-4-(5-hexylthiophen-2-yl)buta-1,3-dienyl]thiophene
CID 11049619
2,5-diheptylthiophene
CID 607114
(E)-3-(5-heptylthiophen-2-yl)prop-2-enoic acid
CID 15919237
2-dodecyl-5-ethylthiophene
CID 528251
5-ethenyl-2-hexylthieno[3,2-b]thiophene
CID 141281764
(3Z,6Z)-3,6-bis[(5-octylthiophen-2-yl)methylidene]piperazine-2,5-dione
CID 118156859
(3Z,6Z)-3,6-bis[(5-hexylthiophen-2-yl)methylidene]piperazine-2,5-dione
CID 118156869
2-octyl-5-[(E)-2-thiophen-2-ylethenyl]thiophene
CID 59141205
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-(4-bromobutyl)-5-octylthiophene
CID 132557960
2-tert-butyl-5-decylthiophene
CID 140589356
[6-(aminomethyl)-4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-pyridinyl]methanamine
CID 144597145

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-hexylthiophene?
The IUPAC name of 2-ethenyl-5-hexylthiophene (CID 102047565) is 2-ethenyl-5-hexylthiophene.
What is the SMILES notation for 2-ethenyl-5-hexylthiophene?
The canonical SMILES for 2-ethenyl-5-hexylthiophene is C=Cc1ccc(CCCCCC)s1.
What is the InChIKey of 2-ethenyl-5-hexylthiophene?
The InChIKey is YPRKDTHYOUHTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18S/c1-3-5-6-7-8-12-10-9-11(4-2)13-12/h4,9-10H,2-3,5-8H2,1H3.
What are the key properties of 2-ethenyl-5-hexylthiophene?
2-ethenyl-5-hexylthiophene has a molecular weight of 194.34 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-hexylthiophene is sourced from PubChem (CID 102047565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).