2-hexyl-3-methylthiophene

C11H18S — CID 69043695

IUPAC2-hexyl-3-methylthiophene
SMILESCCCCCCc1sccc1C
InChIInChI=1S/C11H18S/c1-3-4-5-6-7-11-10(2)8-9-12-11/h8-9H,3-7H2,1-2H3
InChIKeyIHMGVSCIFQTQOV-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.18
Rot. Bonds5

About 2-hexyl-3-methylthiophene

2-hexyl-3-methylthiophene (PubChem CID 69043695) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 2-hexyl-3-methylthiophene.

Molecular Properties

Compound Name2-hexyl-3-methylthiophene
PubChem CID69043695
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name2-hexyl-3-methylthiophene
SMILESCCCCCCc1sccc1C
InChIInChI=1S/C11H18S/c1-3-4-5-6-7-11-10(2)8-9-12-11/h8-9H,3-7H2,1-2H3
InChIKeyIHMGVSCIFQTQOV-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.18
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

2,3-didodecylthiophene
CID 66897470
2-hexylthiophen-3-ol
CID 175348347
3-(3-methylthiophen-2-yl)propan-1-ol
CID 55267212
2-(3-bromopropyl)-3-methylthiophene
CID 19688419
1-(3-methylthiophen-2-yl)heptan-4-one
CID 83929160
3-ethyl-2-hexylthiophene;N-methylmethanamine
CID 142603185
2-tetradecylthiophene-3-carboxylic acid
CID 67293637
2-(3-methylthiophen-2-yl)ethanethiol
CID 55274895
N-(2-methoxyethyl)-5-(3-methylthiophen-2-yl)pentan-1-amine
CID 65305199
2-heptyl-3,4-dimethylthiophene
CID 142681632
triethoxy-[3-(3-methylthiophen-2-yl)propyl]silane
CID 139649676
2-(3-chlorohexyl)-3-methylthiophene
CID 79996095

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-3-methylthiophene?
The IUPAC name of 2-hexyl-3-methylthiophene (CID 69043695) is 2-hexyl-3-methylthiophene.
What is the SMILES notation for 2-hexyl-3-methylthiophene?
The canonical SMILES for 2-hexyl-3-methylthiophene is CCCCCCc1sccc1C.
What is the InChIKey of 2-hexyl-3-methylthiophene?
The InChIKey is IHMGVSCIFQTQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-3-4-5-6-7-11-10(2)8-9-12-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-hexyl-3-methylthiophene?
2-hexyl-3-methylthiophene has a molecular weight of 182.33 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-3-methylthiophene is sourced from PubChem (CID 69043695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).