2-methyl-3-octadecoxythiophene

C23H42OS — CID 91356993

IUPAC2-methyl-3-octadecoxythiophene
SMILESCCCCCCCCCCCCCCCCCCOc1ccsc1C
InChIInChI=1S/C23H42OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-23-19-21-25-22(23)2/h19,21H,3-18,20H2,1-2H3
InChIKeyWZVZVJOYESGFMB-UHFFFAOYSA-N
MW366.66 g/mol
LogP8.70
Rot. Bonds18

About 2-methyl-3-octadecoxythiophene

2-methyl-3-octadecoxythiophene (PubChem CID 91356993) has the molecular formula C23H42OS and a molecular weight of 366.66 g/mol. Its IUPAC name is 2-methyl-3-octadecoxythiophene.

Molecular Properties

Compound Name2-methyl-3-octadecoxythiophene
PubChem CID91356993
Molecular FormulaC23H42OS
Molecular Weight366.66 g/mol
Exact Mass366.30
IUPAC Name2-methyl-3-octadecoxythiophene
SMILESCCCCCCCCCCCCCCCCCCOc1ccsc1C
InChIInChI=1S/C23H42OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-23-19-21-25-22(23)2/h19,21H,3-18,20H2,1-2H3
InChIKeyWZVZVJOYESGFMB-UHFFFAOYSA-N
XLogP8.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.66
LogP ≤ 58.70
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-ethyl-3-octadecoxythiophene
CID 91523496
2-ethenyl-3-hexoxythiophene
CID 175087777
2-bromo-3-butoxythiophene
CID 90107659
3-hexoxy-2-[3-(3-hexoxythiophen-2-yl)azulen-1-yl]thiophene
CID 86064294
2-(2,6-dioctoxyphenyl)thiophene
CID 129070444
1,2,4,5-tetrakis-decoxybenzene
CID 10556791
1,4-diheptoxy-2,5-dimethylbenzene
CID 59184182
2-methyl-3-prop-2-enoxythiophene
CID 14964444
2-ethyl-3-propoxythiophene
CID 138534180
1-methyl-2-pentadecoxybenzene
CID 154641785
2,3-difluoro-1,4-dihexoxybenzene
CID 125465685
1,4,5,8-tetrahexoxyanthracene
CID 101142141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-octadecoxythiophene?
The IUPAC name of 2-methyl-3-octadecoxythiophene (CID 91356993) is 2-methyl-3-octadecoxythiophene.
What is the SMILES notation for 2-methyl-3-octadecoxythiophene?
The canonical SMILES for 2-methyl-3-octadecoxythiophene is CCCCCCCCCCCCCCCCCCOc1ccsc1C.
What is the InChIKey of 2-methyl-3-octadecoxythiophene?
The InChIKey is WZVZVJOYESGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-23-19-21-25-22(23)2/h19,21H,3-18,20H2,1-2H3.
What are the key properties of 2-methyl-3-octadecoxythiophene?
2-methyl-3-octadecoxythiophene has a molecular weight of 366.66 g/mol, XLogP of 8.70, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-octadecoxythiophene is sourced from PubChem (CID 91356993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).