3-dodecyl-1-ethenylidenethiophene

C18H30S — CID 123893367

IUPAC3-dodecyl-1-ethenylidenethiophene
SMILESC=C=S1C=CC(CCCCCCCCCCCC)=C1
InChIInChI=1S/C18H30S/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-16-19(4-2)17-18/h15-17H,2-3,5-14H2,1H3
InChIKeyZQSXXEXBFUOBNG-UHFFFAOYSA-N
MW278.50 g/mol
LogP6.56
Rot. Bonds11

About 3-dodecyl-1-ethenylidenethiophene

3-dodecyl-1-ethenylidenethiophene (PubChem CID 123893367) has the molecular formula C18H30S and a molecular weight of 278.50 g/mol. Its IUPAC name is 3-dodecyl-1-ethenylidenethiophene.

Molecular Properties

Compound Name3-dodecyl-1-ethenylidenethiophene
PubChem CID123893367
Molecular FormulaC18H30S
Molecular Weight278.50 g/mol
Exact Mass278.21
IUPAC Name3-dodecyl-1-ethenylidenethiophene
SMILESC=C=S1C=CC(CCCCCCCCCCCC)=C1
InChIInChI=1S/C18H30S/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-16-19(4-2)17-18/h15-17H,2-3,5-14H2,1H3
InChIKeyZQSXXEXBFUOBNG-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.50
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Hexyl-2-thienyllithium
CID 85970345
1-Ethenylidene-3-hexylthiophene
CID 91359807
magnesium;3-decyl-2H-thiophen-2-ide;bromide
CID 134947511
3-Dodecylthiophene 1-oxide
CID 23049602
1-Ethenylidene-3-propylthiophene
CID 56997286
3-Butyl-1-ethenylidenethiophene
CID 57205642
chlorozinc(1+);3-octyl-2H-thiophen-2-ide
CID 58807315
(3-Octylthiophen-2-yl)magnesium bromide
CID 59482905
3-Hexylthiophene 1-oxide
CID 69024912
magnesium;3-dodecyl-2H-thiophen-2-ide;bromide
CID 87523427
5-(Ethenylsulfanylmethylidene)nonane
CID 139298116
lithium 3-hexyl-2H-thiophen-2-ide
CID 140277270

Frequently Asked Questions

What is the IUPAC name of 3-dodecyl-1-ethenylidenethiophene?
The IUPAC name of 3-dodecyl-1-ethenylidenethiophene (CID 123893367) is 3-dodecyl-1-ethenylidenethiophene.
What is the SMILES notation for 3-dodecyl-1-ethenylidenethiophene?
The canonical SMILES for 3-dodecyl-1-ethenylidenethiophene is C=C=S1C=CC(CCCCCCCCCCCC)=C1.
What is the InChIKey of 3-dodecyl-1-ethenylidenethiophene?
The InChIKey is ZQSXXEXBFUOBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30S/c1-3-5-6-7-8-9-10-11-12-13-14-18-15-16-19(4-2)17-18/h15-17H,2-3,5-14H2,1H3.
What are the key properties of 3-dodecyl-1-ethenylidenethiophene?
3-dodecyl-1-ethenylidenethiophene has a molecular weight of 278.50 g/mol, XLogP of 6.56, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecyl-1-ethenylidenethiophene is sourced from PubChem (CID 123893367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).