2-tert-butyl-5-decylthiophene

C18H32S — CID 140589356

IUPAC2-tert-butyl-5-decylthiophene
SMILESCCCCCCCCCCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C18H32S/c1-5-6-7-8-9-10-11-12-13-16-14-15-17(19-16)18(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyMLSPHYMDLWDAFR-UHFFFAOYSA-N
MW280.52 g/mol
LogP6.73
Rot. Bonds9

About 2-tert-butyl-5-decylthiophene

2-tert-butyl-5-decylthiophene (PubChem CID 140589356) has the molecular formula C18H32S and a molecular weight of 280.52 g/mol. Its IUPAC name is 2-tert-butyl-5-decylthiophene.

Molecular Properties

Compound Name2-tert-butyl-5-decylthiophene
PubChem CID140589356
Molecular FormulaC18H32S
Molecular Weight280.52 g/mol
Exact Mass280.22
IUPAC Name2-tert-butyl-5-decylthiophene
SMILESCCCCCCCCCCc1ccc(C(C)(C)C)s1
InChIInChI=1S/C18H32S/c1-5-6-7-8-9-10-11-12-13-16-14-15-17(19-16)18(2,3)4/h14-15H,5-13H2,1-4H3
InChIKeyMLSPHYMDLWDAFR-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.52
LogP ≤ 56.73
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

2,5-diheptylthiophene
CID 607114
2-pentyl-5-(trifluoromethyl)thiophene
CID 143267896
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-dodecyl-5-ethylthiophene
CID 528251
2-dodecyl-5-[5-[2,3,4,5,6-pentakis[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]phenyl]thiophen-2-yl]thiophene
CID 101109939
2-(4-bromobutyl)-5-octylthiophene
CID 132557960
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
5-(5-octylthiophen-2-yl)thiophen-2-amine
CID 145051414
2-hexyl-5-[2,3,5,6-tetrafluoro-4-(5-hexylthiophen-2-yl)phenyl]thiophene
CID 102511967
2-amino-2-methyl-4-(5-octylthiophen-2-yl)butan-1-ol
CID 139907975
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
(5-decylthiophen-2-yl)-trimethylstannane
CID 140863319

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-decylthiophene?
The IUPAC name of 2-tert-butyl-5-decylthiophene (CID 140589356) is 2-tert-butyl-5-decylthiophene.
What is the SMILES notation for 2-tert-butyl-5-decylthiophene?
The canonical SMILES for 2-tert-butyl-5-decylthiophene is CCCCCCCCCCc1ccc(C(C)(C)C)s1.
What is the InChIKey of 2-tert-butyl-5-decylthiophene?
The InChIKey is MLSPHYMDLWDAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32S/c1-5-6-7-8-9-10-11-12-13-16-14-15-17(19-16)18(2,3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 2-tert-butyl-5-decylthiophene?
2-tert-butyl-5-decylthiophene has a molecular weight of 280.52 g/mol, XLogP of 6.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-decylthiophene is sourced from PubChem (CID 140589356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).