3,4-didecylthiophene

C24H44S — CID 21200004

IUPAC3,4-didecylthiophene
SMILESCCCCCCCCCCc1cscc1CCCCCCCCCC
InChIInChI=1S/C24H44S/c1-3-5-7-9-11-13-15-17-19-23-21-25-22-24(23)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyVAAGULPSFSBRJU-UHFFFAOYSA-N
MW364.68 g/mol
LogP9.11
Rot. Bonds18

About 3,4-didecylthiophene

3,4-didecylthiophene (PubChem CID 21200004) has the molecular formula C24H44S and a molecular weight of 364.68 g/mol. Its IUPAC name is 3,4-didecylthiophene.

Molecular Properties

Compound Name3,4-didecylthiophene
PubChem CID21200004
Molecular FormulaC24H44S
Molecular Weight364.68 g/mol
Exact Mass364.32
IUPAC Name3,4-didecylthiophene
SMILESCCCCCCCCCCc1cscc1CCCCCCCCCC
InChIInChI=1S/C24H44S/c1-3-5-7-9-11-13-15-17-19-23-21-25-22-24(23)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChIKeyVAAGULPSFSBRJU-UHFFFAOYSA-N
XLogP9.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.68
LogP ≤ 59.11
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-methyl-4-octylthiophene
CID 22052993
3-bromo-4-heptylthiophene
CID 130384503
3,4-bis(4-decan-4-yloxybutyl)thiophene
CID 67519549
4-butylthiophene-3-thiol
CID 86122597
3-butyl-4-prop-2-enylthiophene
CID 139649678
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
3,4-bis[(2S)-2-methyloctyl]thiophene;3,4-bis[(2R)-2-methyloctyl]thiophene
CID 158088922
8,18-didecyl-3,6,10,13,16,20,23-heptathiaheptacyclo[12.9.0.02,12.04,11.05,9.015,22.017,21]tricosa-1(14),2(12),4(11),5(9),7,15(22),17(21),18-octaene
CID 102469841

Frequently Asked Questions

What is the IUPAC name of 3,4-didecylthiophene?
The IUPAC name of 3,4-didecylthiophene (CID 21200004) is 3,4-didecylthiophene.
What is the SMILES notation for 3,4-didecylthiophene?
The canonical SMILES for 3,4-didecylthiophene is CCCCCCCCCCc1cscc1CCCCCCCCCC.
What is the InChIKey of 3,4-didecylthiophene?
The InChIKey is VAAGULPSFSBRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44S/c1-3-5-7-9-11-13-15-17-19-23-21-25-22-24(23)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3.
What are the key properties of 3,4-didecylthiophene?
3,4-didecylthiophene has a molecular weight of 364.68 g/mol, XLogP of 9.11, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-didecylthiophene is sourced from PubChem (CID 21200004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).