3,6-dibutoxythieno[3,2-b]thiophene

C14H20O2S2 — CID 170905012

IUPAC3,6-dibutoxythieno[3,2-b]thiophene
SMILESCCCCOc1csc2c(OCCCC)csc12
InChIInChI=1S/C14H20O2S2/c1-3-5-7-15-11-9-17-14-12(10-18-13(11)14)16-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyYNLMDBKBEWBXQG-UHFFFAOYSA-N
MW284.45 g/mol
LogP5.32
Rot. Bonds8

About 3,6-dibutoxythieno[3,2-b]thiophene

3,6-dibutoxythieno[3,2-b]thiophene (PubChem CID 170905012) has the molecular formula C14H20O2S2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 3,6-dibutoxythieno[3,2-b]thiophene.

Molecular Properties

Compound Name3,6-dibutoxythieno[3,2-b]thiophene
PubChem CID170905012
Molecular FormulaC14H20O2S2
Molecular Weight284.45 g/mol
Exact Mass284.09
IUPAC Name3,6-dibutoxythieno[3,2-b]thiophene
SMILESCCCCOc1csc2c(OCCCC)csc12
InChIInChI=1S/C14H20O2S2/c1-3-5-7-15-11-9-17-14-12(10-18-13(11)14)16-8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyYNLMDBKBEWBXQG-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dibutoxy-2-[2-(3,4-dibutoxythiophen-2-yl)ethenyl]thiophene
CID 71346103
2-amino-4-butoxythiophene-3-carbonitrile
CID 102447325
2,3-dihexoxycyclohexa-1,3-dien-5-yne
CID 10778861
2-bromo-3-butoxythiophene
CID 90107659
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
3,4-dihexoxythiophene;ethene
CID 175595567
4,5-dibutoxybenzene-1,2-dithiol
CID 177461948
2-ethyl-3-octadecoxythiophene
CID 91523496
1,3-dibutoxy-2-methylbenzene
CID 14475066
2,3-dibutoxy-6,7,10,11-tetrakis-decoxytriphenylene
CID 86203884
1,4-dibutoxynaphthalene
CID 22016411
1,2,4,5-tetrakis-decoxybenzene
CID 10556791

Frequently Asked Questions

What is the IUPAC name of 3,6-dibutoxythieno[3,2-b]thiophene?
The IUPAC name of 3,6-dibutoxythieno[3,2-b]thiophene (CID 170905012) is 3,6-dibutoxythieno[3,2-b]thiophene.
What is the SMILES notation for 3,6-dibutoxythieno[3,2-b]thiophene?
The canonical SMILES for 3,6-dibutoxythieno[3,2-b]thiophene is CCCCOc1csc2c(OCCCC)csc12.
What is the InChIKey of 3,6-dibutoxythieno[3,2-b]thiophene?
The InChIKey is YNLMDBKBEWBXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S2/c1-3-5-7-15-11-9-17-14-12(10-18-13(11)14)16-8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,6-dibutoxythieno[3,2-b]thiophene?
3,6-dibutoxythieno[3,2-b]thiophene has a molecular weight of 284.45 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibutoxythieno[3,2-b]thiophene is sourced from PubChem (CID 170905012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).