4,4-dihexylindeno[1,2-b]thiophene

C23H32S — CID 58202963

IUPAC4,4-dihexylindeno[1,2-b]thiophene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2sccc21
InChIInChI=1S/C23H32S/c1-3-5-7-11-16-23(17-12-8-6-4-2)20-14-10-9-13-19(20)22-21(23)15-18-24-22/h9-10,13-15,18H,3-8,11-12,16-17H2,1-2H3
InChIKeyBVYVYJVOIXAUJA-UHFFFAOYSA-N
MW340.58 g/mol
LogP7.96
Rot. Bonds10

About 4,4-dihexylindeno[1,2-b]thiophene

4,4-dihexylindeno[1,2-b]thiophene (PubChem CID 58202963) has the molecular formula C23H32S and a molecular weight of 340.58 g/mol. Its IUPAC name is 4,4-dihexylindeno[1,2-b]thiophene.

Molecular Properties

Compound Name4,4-dihexylindeno[1,2-b]thiophene
PubChem CID58202963
Molecular FormulaC23H32S
Molecular Weight340.58 g/mol
Exact Mass340.22
IUPAC Name4,4-dihexylindeno[1,2-b]thiophene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2sccc21
InChIInChI=1S/C23H32S/c1-3-5-7-11-16-23(17-12-8-6-4-2)20-14-10-9-13-19(20)22-21(23)15-18-24-22/h9-10,13-15,18H,3-8,11-12,16-17H2,1-2H3
InChIKeyBVYVYJVOIXAUJA-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.58
LogP ≤ 57.96
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

9,9,18,18-tetraoctyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CID 58435013
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2-(9,9-dioctylfluoren-2-yl)-3-methylthiophene
CID 101066169
5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1,3(10),4(8),6,11,13(17),15-heptaene;9,9,18,18-tetraoctyl-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene
CID 162166139
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728
2,5-bis(9,9-dioctylfluoren-2-yl)thiophene
CID 122383258
CID 162235627
CID 162235627
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
9,9-dioctylfluorene;2-methylpyrimidine
CID 174872093
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
3,3,14,14-tetra(heptadecyl)-7,18,21-trithiahexacyclo[10.9.0.02,9.04,8.013,20.015,19]henicosa-1(12),2(9),4(8),5,10,13(20),15(19),16-octaene
CID 129151125

Frequently Asked Questions

What is the IUPAC name of 4,4-dihexylindeno[1,2-b]thiophene?
The IUPAC name of 4,4-dihexylindeno[1,2-b]thiophene (CID 58202963) is 4,4-dihexylindeno[1,2-b]thiophene.
What is the SMILES notation for 4,4-dihexylindeno[1,2-b]thiophene?
The canonical SMILES for 4,4-dihexylindeno[1,2-b]thiophene is CCCCCCC1(CCCCCC)c2ccccc2-c2sccc21.
What is the InChIKey of 4,4-dihexylindeno[1,2-b]thiophene?
The InChIKey is BVYVYJVOIXAUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32S/c1-3-5-7-11-16-23(17-12-8-6-4-2)20-14-10-9-13-19(20)22-21(23)15-18-24-22/h9-10,13-15,18H,3-8,11-12,16-17H2,1-2H3.
What are the key properties of 4,4-dihexylindeno[1,2-b]thiophene?
4,4-dihexylindeno[1,2-b]thiophene has a molecular weight of 340.58 g/mol, XLogP of 7.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dihexylindeno[1,2-b]thiophene is sourced from PubChem (CID 58202963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).