2-ethenyl-3-hexoxythiophene

C12H18OS — CID 175087777

IUPAC2-ethenyl-3-hexoxythiophene
SMILESC=Cc1sccc1OCCCCCC
InChIInChI=1S/C12H18OS/c1-3-5-6-7-9-13-11-8-10-14-12(11)4-2/h4,8,10H,2-3,5-7,9H2,1H3
InChIKeyXMNVRGLOKVSHBU-UHFFFAOYSA-N
MW210.34 g/mol
LogP4.35
Rot. Bonds7

About 2-ethenyl-3-hexoxythiophene

2-ethenyl-3-hexoxythiophene (PubChem CID 175087777) has the molecular formula C12H18OS and a molecular weight of 210.34 g/mol. Its IUPAC name is 2-ethenyl-3-hexoxythiophene.

Molecular Properties

Compound Name2-ethenyl-3-hexoxythiophene
PubChem CID175087777
Molecular FormulaC12H18OS
Molecular Weight210.34 g/mol
Exact Mass210.11
IUPAC Name2-ethenyl-3-hexoxythiophene
SMILESC=Cc1sccc1OCCCCCC
InChIInChI=1S/C12H18OS/c1-3-5-6-7-9-13-11-8-10-14-12(11)4-2/h4,8,10H,2-3,5-7,9H2,1H3
InChIKeyXMNVRGLOKVSHBU-UHFFFAOYSA-N
XLogP4.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-octadecoxythiophene
CID 91356993
2-ethyl-3-octadecoxythiophene
CID 91523496
2-ethenyl-3-tetradecylthiophene
CID 150440528
1-ethenyl-2-heptadecoxybenzene
CID 139672731
3-[(E)-2-anthracen-9-ylethenyl]-2-[(E)-2-(4-ethenyl-2,5-dihexoxyphenyl)ethenyl]thiophene
CID 102482507
2-ethenyl-1,4-di(tetradecoxy)benzene
CID 102407771
3-(2-butyloctoxy)thiophene-2-carbaldehyde
CID 86706806
2-bromo-3-butoxythiophene
CID 90107659
3-hexoxy-2-[3-(3-hexoxythiophen-2-yl)azulen-1-yl]thiophene
CID 86064294
1,4-bis[(E)-2-(4-ethenyl-2,5-dioctoxyphenyl)ethenyl]-2,5-dioctoxybenzene
CID 101045476
5-ethenyl-1,2,3-trihexoxybenzene
CID 132596911
2-(2,6-dioctoxyphenyl)thiophene
CID 129070444

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-hexoxythiophene?
The IUPAC name of 2-ethenyl-3-hexoxythiophene (CID 175087777) is 2-ethenyl-3-hexoxythiophene.
What is the SMILES notation for 2-ethenyl-3-hexoxythiophene?
The canonical SMILES for 2-ethenyl-3-hexoxythiophene is C=Cc1sccc1OCCCCCC.
What is the InChIKey of 2-ethenyl-3-hexoxythiophene?
The InChIKey is XMNVRGLOKVSHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OS/c1-3-5-6-7-9-13-11-8-10-14-12(11)4-2/h4,8,10H,2-3,5-7,9H2,1H3.
What are the key properties of 2-ethenyl-3-hexoxythiophene?
2-ethenyl-3-hexoxythiophene has a molecular weight of 210.34 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-hexoxythiophene is sourced from PubChem (CID 175087777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).