2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene

C19H30S2 — CID 173421142

IUPAC2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene
SMILESCCCCCCCc1cc2sc(C(C)CCCC)cc2s1
InChIInChI=1S/C19H30S2/c1-4-6-8-9-10-12-16-13-18-19(20-16)14-17(21-18)15(3)11-7-5-2/h13-15H,4-12H2,1-3H3
InChIKeyUTPRSGNSAGBJLG-UHFFFAOYSA-N
MW322.58 g/mol
LogP7.77
Rot. Bonds10

About 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene

2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene (PubChem CID 173421142) has the molecular formula C19H30S2 and a molecular weight of 322.58 g/mol. Its IUPAC name is 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene.

Molecular Properties

Compound Name2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene
PubChem CID173421142
Molecular FormulaC19H30S2
Molecular Weight322.58 g/mol
Exact Mass322.18
IUPAC Name2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene
SMILESCCCCCCCc1cc2sc(C(C)CCCC)cc2s1
InChIInChI=1S/C19H30S2/c1-4-6-8-9-10-12-16-13-18-19(20-16)14-17(21-18)15(3)11-7-5-2/h13-15H,4-12H2,1-3H3
InChIKeyUTPRSGNSAGBJLG-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.58
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dioctylthieno[3,2-b]thiophene
CID 139270896
5-dodecoxy-2-hexan-2-ylthieno[3,2-b]thiophene
CID 173420984
5-[1-(4-ethylcyclohexyl)ethyl]-2-pentylthieno[3,2-b]thiophene
CID 57137442
5-ethenyl-2-hexylthieno[3,2-b]thiophene
CID 141281764
2-butyl-5-(5-nonan-2-ylthiophen-2-yl)thiophene
CID 123248054
4,11-dioctyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 130376551
5-ethynyl-2-pentylthieno[3,2-b]thiophene
CID 141472920
2,5-diheptylthiophene
CID 607114
2,5-bis(5-octylthiophen-2-yl)thieno[3,2-b]thiophene
CID 71014668
5-[1-(4-butylcyclohexyl)ethyl]-2-propylthieno[3,2-b]thiophene
CID 57190692
5-pentyl-2-(2-pentylthieno[3,2-b]thiophen-5-yl)pyrimidine
CID 70491130
3-bromo-5-octylthieno[3,2-b]thiophene
CID 135070013

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene?
The IUPAC name of 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene (CID 173421142) is 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene.
What is the SMILES notation for 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene?
The canonical SMILES for 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene is CCCCCCCc1cc2sc(C(C)CCCC)cc2s1.
What is the InChIKey of 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene?
The InChIKey is UTPRSGNSAGBJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30S2/c1-4-6-8-9-10-12-16-13-18-19(20-16)14-17(21-18)15(3)11-7-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene?
2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene has a molecular weight of 322.58 g/mol, XLogP of 7.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-5-hexan-2-ylthieno[3,2-b]thiophene is sourced from PubChem (CID 173421142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).