3-ethenyl-2-(6-methylnonyl)thiophene

C16H26S — CID 166689011

IUPAC3-ethenyl-2-(6-methylnonyl)thiophene
SMILESC=Cc1ccsc1CCCCCC(C)CCC
InChIInChI=1S/C16H26S/c1-4-9-14(3)10-7-6-8-11-16-15(5-2)12-13-17-16/h5,12-14H,2,4,6-11H2,1,3H3
InChIKeyUIFSUUXWFRQUCD-UHFFFAOYSA-N
MW250.45 g/mol
LogP5.93
Rot. Bonds9

About 3-ethenyl-2-(6-methylnonyl)thiophene

3-ethenyl-2-(6-methylnonyl)thiophene (PubChem CID 166689011) has the molecular formula C16H26S and a molecular weight of 250.45 g/mol. Its IUPAC name is 3-ethenyl-2-(6-methylnonyl)thiophene.

Molecular Properties

Compound Name3-ethenyl-2-(6-methylnonyl)thiophene
PubChem CID166689011
Molecular FormulaC16H26S
Molecular Weight250.45 g/mol
Exact Mass250.18
IUPAC Name3-ethenyl-2-(6-methylnonyl)thiophene
SMILESC=Cc1ccsc1CCCCCC(C)CCC
InChIInChI=1S/C16H26S/c1-4-9-14(3)10-7-6-8-11-16-15(5-2)12-13-17-16/h5,12-14H,2,4,6-11H2,1,3H3
InChIKeyUIFSUUXWFRQUCD-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hexylthiophen-3-yl)prop-2-enal
CID 173172239
13-methylhexadec-1-ene
CID 71373615
14,18,22-trimethylpentacos-1-ene
CID 91259502
(4S)-4-methyltridecane
CID 24884428
4,10-dimethyltriacontane
CID 6430425
4,13-dimethylheptadecane
CID 6430494
(4R)-4-methyldecane
CID 57191620
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866
(4R)-4-methylpentadecane
CID 98062361
4-methyltritriacontane
CID 71346224
2,3-didodecylthiophene
CID 66897470

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2-(6-methylnonyl)thiophene?
The IUPAC name of 3-ethenyl-2-(6-methylnonyl)thiophene (CID 166689011) is 3-ethenyl-2-(6-methylnonyl)thiophene.
What is the SMILES notation for 3-ethenyl-2-(6-methylnonyl)thiophene?
The canonical SMILES for 3-ethenyl-2-(6-methylnonyl)thiophene is C=Cc1ccsc1CCCCCC(C)CCC.
What is the InChIKey of 3-ethenyl-2-(6-methylnonyl)thiophene?
The InChIKey is UIFSUUXWFRQUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26S/c1-4-9-14(3)10-7-6-8-11-16-15(5-2)12-13-17-16/h5,12-14H,2,4,6-11H2,1,3H3.
What are the key properties of 3-ethenyl-2-(6-methylnonyl)thiophene?
3-ethenyl-2-(6-methylnonyl)thiophene has a molecular weight of 250.45 g/mol, XLogP of 5.93, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(6-methylnonyl)thiophene is sourced from PubChem (CID 166689011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).