3-(2,3-dimethyloctyl)thiophene

C14H24S — CID 22501098

IUPAC3-(2,3-dimethyloctyl)thiophene
SMILESCCCCCC(C)C(C)Cc1ccsc1
InChIInChI=1S/C14H24S/c1-4-5-6-7-12(2)13(3)10-14-8-9-15-11-14/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyIVZWYJWCLJWQHV-UHFFFAOYSA-N
MW224.41 g/mol
LogP5.14
Rot. Bonds7

About 3-(2,3-dimethyloctyl)thiophene

3-(2,3-dimethyloctyl)thiophene (PubChem CID 22501098) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 3-(2,3-dimethyloctyl)thiophene.

Molecular Properties

Compound Name3-(2,3-dimethyloctyl)thiophene
PubChem CID22501098
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name3-(2,3-dimethyloctyl)thiophene
SMILESCCCCCC(C)C(C)Cc1ccsc1
InChIInChI=1S/C14H24S/c1-4-5-6-7-12(2)13(3)10-14-8-9-15-11-14/h8-9,11-13H,4-7,10H2,1-3H3
InChIKeyIVZWYJWCLJWQHV-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.41
LogP ≤ 55.14
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

3-(2-hexyldecyl)thiophene
CID 67456553
1-thiophen-3-ylundecan-2-amine
CID 65427688
1-thiophen-3-ylheptan-2-amine
CID 61077742
3-[(2S)-2,3-dimethylbutyl]thiophene
CID 130210876
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
3-(2-bromoicosyl)thiophene
CID 89438780
1-thiophen-3-yltetradecan-2-ol
CID 105090220
3-(2-bromotridecyl)thiophene
CID 65428156
1-thiophen-3-ylnonan-3-amine
CID 115857036
3-heptylthiophene;3-hexylthiophene
CID 159152668
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyloctyl)thiophene?
The IUPAC name of 3-(2,3-dimethyloctyl)thiophene (CID 22501098) is 3-(2,3-dimethyloctyl)thiophene.
What is the SMILES notation for 3-(2,3-dimethyloctyl)thiophene?
The canonical SMILES for 3-(2,3-dimethyloctyl)thiophene is CCCCCC(C)C(C)Cc1ccsc1.
What is the InChIKey of 3-(2,3-dimethyloctyl)thiophene?
The InChIKey is IVZWYJWCLJWQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-4-5-6-7-12(2)13(3)10-14-8-9-15-11-14/h8-9,11-13H,4-7,10H2,1-3H3.
What are the key properties of 3-(2,3-dimethyloctyl)thiophene?
3-(2,3-dimethyloctyl)thiophene has a molecular weight of 224.41 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyloctyl)thiophene is sourced from PubChem (CID 22501098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).