3,4-dihexoxythiophene;ethene

C18H32O2S — CID 175595567

IUPAC3,4-dihexoxythiophene;ethene
SMILESC=C.CCCCCCOc1cscc1OCCCCCC
InChIInChI=1S/C16H28O2S.C2H4/c1-3-5-7-9-11-17-15-13-19-14-16(15)18-12-10-8-6-4-2;1-2/h13-14H,3-12H2,1-2H3;1-2H2
InChIKeyBRGHVGJXUZUUGO-UHFFFAOYSA-N
MW312.52 g/mol
LogP6.47
Rot. Bonds12

About 3,4-dihexoxythiophene;ethene

3,4-dihexoxythiophene;ethene (PubChem CID 175595567) has the molecular formula C18H32O2S and a molecular weight of 312.52 g/mol. Its IUPAC name is 3,4-dihexoxythiophene;ethene.

Molecular Properties

Compound Name3,4-dihexoxythiophene;ethene
PubChem CID175595567
Molecular FormulaC18H32O2S
Molecular Weight312.52 g/mol
Exact Mass312.21
IUPAC Name3,4-dihexoxythiophene;ethene
SMILESC=C.CCCCCCOc1cscc1OCCCCCC
InChIInChI=1S/C16H28O2S.C2H4/c1-3-5-7-9-11-17-15-13-19-14-16(15)18-12-10-8-6-4-2;1-2/h13-14H,3-12H2,1-2H3;1-2H2
InChIKeyBRGHVGJXUZUUGO-UHFFFAOYSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.52
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 21200017
2,3-dihexoxycyclohexa-1,3-dien-5-yne
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1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
2,3-dibutoxy-6,7,10,11-tetrakis-decoxytriphenylene
CID 86203884
2,3,6,7,10-pentahexoxy-11-[3-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxypropoxy]triphenylene
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Frequently Asked Questions

What is the IUPAC name of 3,4-dihexoxythiophene;ethene?
The IUPAC name of 3,4-dihexoxythiophene;ethene (CID 175595567) is 3,4-dihexoxythiophene;ethene.
What is the SMILES notation for 3,4-dihexoxythiophene;ethene?
The canonical SMILES for 3,4-dihexoxythiophene;ethene is C=C.CCCCCCOc1cscc1OCCCCCC.
What is the InChIKey of 3,4-dihexoxythiophene;ethene?
The InChIKey is BRGHVGJXUZUUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2S.C2H4/c1-3-5-7-9-11-17-15-13-19-14-16(15)18-12-10-8-6-4-2;1-2/h13-14H,3-12H2,1-2H3;1-2H2.
What are the key properties of 3,4-dihexoxythiophene;ethene?
3,4-dihexoxythiophene;ethene has a molecular weight of 312.52 g/mol, XLogP of 6.47, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihexoxythiophene;ethene is sourced from PubChem (CID 175595567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).