2-(6-methyltridecan-6-yl)thiophene

C18H32S — CID 139342178

IUPAC2-(6-methyltridecan-6-yl)thiophene
SMILESCCCCCCCC(C)(CCCCC)c1cccs1
InChIInChI=1S/C18H32S/c1-4-6-8-9-11-15-18(3,14-10-7-5-2)17-13-12-16-19-17/h12-13,16H,4-11,14-15H2,1-3H3
InChIKeyAABZIJQLQUVRIE-UHFFFAOYSA-N
MW280.52 g/mol
LogP6.95
Rot. Bonds11

About 2-(6-methyltridecan-6-yl)thiophene

2-(6-methyltridecan-6-yl)thiophene (PubChem CID 139342178) has the molecular formula C18H32S and a molecular weight of 280.52 g/mol. Its IUPAC name is 2-(6-methyltridecan-6-yl)thiophene.

Molecular Properties

Compound Name2-(6-methyltridecan-6-yl)thiophene
PubChem CID139342178
Molecular FormulaC18H32S
Molecular Weight280.52 g/mol
Exact Mass280.22
IUPAC Name2-(6-methyltridecan-6-yl)thiophene
SMILESCCCCCCCC(C)(CCCCC)c1cccs1
InChIInChI=1S/C18H32S/c1-4-6-8-9-11-15-18(3,14-10-7-5-2)17-13-12-16-19-17/h12-13,16H,4-11,14-15H2,1-3H3
InChIKeyAABZIJQLQUVRIE-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.52
LogP ≤ 56.95
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

5-(4-methyldecan-4-yl)-1,3-thiazole
CID 167193600
2-(2-bromopropan-2-yl)thiophene
CID 174915633
2-(4-phosphorosooxynonan-4-yl)thiophene
CID 145398956
(1S)-1-amino-1-thiophen-2-ylbutan-1-ol
CID 67452361
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-methyl-2-thiophen-2-ylpropan-1-amine
CID 51664087
2-phenyldecan-2-amine
CID 63408050
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
4-(5-methylundecan-5-yl)pyridine
CID 146178387
2-phenylicosan-2-amine;hydrochloride
CID 173065845
3-(6-methylundecan-6-yl)thiophene
CID 129310347
1-(4-butylphenyl)-1-thiophen-2-ylethanol
CID 58735357

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyltridecan-6-yl)thiophene?
The IUPAC name of 2-(6-methyltridecan-6-yl)thiophene (CID 139342178) is 2-(6-methyltridecan-6-yl)thiophene.
What is the SMILES notation for 2-(6-methyltridecan-6-yl)thiophene?
The canonical SMILES for 2-(6-methyltridecan-6-yl)thiophene is CCCCCCCC(C)(CCCCC)c1cccs1.
What is the InChIKey of 2-(6-methyltridecan-6-yl)thiophene?
The InChIKey is AABZIJQLQUVRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32S/c1-4-6-8-9-11-15-18(3,14-10-7-5-2)17-13-12-16-19-17/h12-13,16H,4-11,14-15H2,1-3H3.
What are the key properties of 2-(6-methyltridecan-6-yl)thiophene?
2-(6-methyltridecan-6-yl)thiophene has a molecular weight of 280.52 g/mol, XLogP of 6.95, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyltridecan-6-yl)thiophene is sourced from PubChem (CID 139342178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).