3-methyl-4-[(2S)-2-methyloctyl]thiophene

C14H24S — CID 59080685

IUPAC3-methyl-4-[(2S)-2-methyloctyl]thiophene
SMILESCCCCCC[C@H](C)Cc1cscc1C
InChIInChI=1S/C14H24S/c1-4-5-6-7-8-12(2)9-14-11-15-10-13(14)3/h10-12H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyAHXXNLYGDJMOJK-LBPRGKRZSA-N
MW224.41 g/mol
LogP5.21
Rot. Bonds7

About 3-methyl-4-[(2S)-2-methyloctyl]thiophene

3-methyl-4-[(2S)-2-methyloctyl]thiophene (PubChem CID 59080685) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 3-methyl-4-[(2S)-2-methyloctyl]thiophene.

Molecular Properties

Compound Name3-methyl-4-[(2S)-2-methyloctyl]thiophene
PubChem CID59080685
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name3-methyl-4-[(2S)-2-methyloctyl]thiophene
SMILESCCCCCC[C@H](C)Cc1cscc1C
InChIInChI=1S/C14H24S/c1-4-5-6-7-8-12(2)9-14-11-15-10-13(14)3/h10-12H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyAHXXNLYGDJMOJK-LBPRGKRZSA-N
XLogP5.21
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 ≤ 55.21
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

3,4-bis[(2S)-2-methyloctyl]thiophene;3,4-bis[(2R)-2-methyloctyl]thiophene
CID 158088922
3-methyl-4-octylthiophene
CID 22052993
2-(2-methyltetradecyl)phenol
CID 154276736
6-methylheptacosane
CID 22223776
11-methylhentriacontane
CID 520767
(9R)-9-methylhenicosane
CID 170848396
6-methyltetradecane
CID 529900
6-methyloctacosane
CID 22223942
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
10,16-dimethyldotriacontane
CID 91748795
15-methyldotriacontane
CID 54168480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2S)-2-methyloctyl]thiophene?
The IUPAC name of 3-methyl-4-[(2S)-2-methyloctyl]thiophene (CID 59080685) is 3-methyl-4-[(2S)-2-methyloctyl]thiophene.
What is the SMILES notation for 3-methyl-4-[(2S)-2-methyloctyl]thiophene?
The canonical SMILES for 3-methyl-4-[(2S)-2-methyloctyl]thiophene is CCCCCC[C@H](C)Cc1cscc1C.
What is the InChIKey of 3-methyl-4-[(2S)-2-methyloctyl]thiophene?
The InChIKey is AHXXNLYGDJMOJK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24S/c1-4-5-6-7-8-12(2)9-14-11-15-10-13(14)3/h10-12H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-methyl-4-[(2S)-2-methyloctyl]thiophene?
3-methyl-4-[(2S)-2-methyloctyl]thiophene has a molecular weight of 224.41 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2S)-2-methyloctyl]thiophene is sourced from PubChem (CID 59080685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).