2-(6-ethenyloct-7-enyl)thiophene

C14H20S — CID 68786861

IUPAC2-(6-ethenyloct-7-enyl)thiophene
SMILESC=CC(C=C)CCCCCc1cccs1
InChIInChI=1S/C14H20S/c1-3-13(4-2)9-6-5-7-10-14-11-8-12-15-14/h3-4,8,11-13H,1-2,5-7,9-10H2
InChIKeyFRQVCUBSKXDAIG-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.84
Rot. Bonds8

About 2-(6-ethenyloct-7-enyl)thiophene

2-(6-ethenyloct-7-enyl)thiophene (PubChem CID 68786861) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 2-(6-ethenyloct-7-enyl)thiophene.

Molecular Properties

Compound Name2-(6-ethenyloct-7-enyl)thiophene
PubChem CID68786861
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name2-(6-ethenyloct-7-enyl)thiophene
SMILESC=CC(C=C)CCCCCc1cccs1
InChIInChI=1S/C14H20S/c1-3-13(4-2)9-6-5-7-10-14-11-8-12-15-14/h3-4,8,11-13H,1-2,5-7,9-10H2
InChIKeyFRQVCUBSKXDAIG-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.84
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

6-thiophen-2-ylhex-1-en-3-amine
CID 105161209
7-thiophen-2-ylheptan-3-amine
CID 64505571
7-thiophen-2-ylhept-1-en-4-ol
CID 105081719
10-thiophen-2-yldecan-1-ol
CID 22992199
2-(5-chloropentyl)thiophene
CID 4912993
20-thiophen-2-ylicosane-1-thiol
CID 15444594
10-thiophen-2-yldecan-1-amine
CID 22115195
8-thiophen-2-yloctan-4-ol
CID 64516293
methane;2-undecylthiophene
CID 175504380
2-(3-ethynylpent-4-enyl)thiophene
CID 173422123
2-(4-fluorobutyl)thiophene
CID 67851736
2-(5-chloro-5-cyclopropylpentyl)thiophene
CID 64507542

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethenyloct-7-enyl)thiophene?
The IUPAC name of 2-(6-ethenyloct-7-enyl)thiophene (CID 68786861) is 2-(6-ethenyloct-7-enyl)thiophene.
What is the SMILES notation for 2-(6-ethenyloct-7-enyl)thiophene?
The canonical SMILES for 2-(6-ethenyloct-7-enyl)thiophene is C=CC(C=C)CCCCCc1cccs1.
What is the InChIKey of 2-(6-ethenyloct-7-enyl)thiophene?
The InChIKey is FRQVCUBSKXDAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-3-13(4-2)9-6-5-7-10-14-11-8-12-15-14/h3-4,8,11-13H,1-2,5-7,9-10H2.
What are the key properties of 2-(6-ethenyloct-7-enyl)thiophene?
2-(6-ethenyloct-7-enyl)thiophene has a molecular weight of 220.38 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethenyloct-7-enyl)thiophene is sourced from PubChem (CID 68786861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).