2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene

C16H18S2 — CID 59972359

IUPAC2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene
SMILESCC/C(=C/C/C=C(/C)c1cccs1)c1cccs1
InChIInChI=1S/C16H18S2/c1-3-14(16-10-6-12-18-16)8-4-7-13(2)15-9-5-11-17-15/h5-12H,3-4H2,1-2H3/b13-7-,14-8-
InChIKeyBULQYGLOJNLUMY-PVRNWPCDSA-N
MW274.45 g/mol
LogP6.10
Rot. Bonds5

About 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene

2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene (PubChem CID 59972359) has the molecular formula C16H18S2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene.

Molecular Properties

Compound Name2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene
PubChem CID59972359
Molecular FormulaC16H18S2
Molecular Weight274.45 g/mol
Exact Mass274.08
IUPAC Name2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene
SMILESCC/C(=C/C/C=C(/C)c1cccs1)c1cccs1
InChIInChI=1S/C16H18S2/c1-3-14(16-10-6-12-18-16)8-4-7-13(2)15-9-5-11-17-15/h5-12H,3-4H2,1-2H3/b13-7-,14-8-
InChIKeyBULQYGLOJNLUMY-PVRNWPCDSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene?
The IUPAC name of 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene (CID 59972359) is 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene.
What is the SMILES notation for 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene?
The canonical SMILES for 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene is CC/C(=C/C/C=C(/C)c1cccs1)c1cccs1.
What is the InChIKey of 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene?
The InChIKey is BULQYGLOJNLUMY-PVRNWPCDSA-N. The full InChI is InChI=1S/C16H18S2/c1-3-14(16-10-6-12-18-16)8-4-7-13(2)15-9-5-11-17-15/h5-12H,3-4H2,1-2H3/b13-7-,14-8-.
What are the key properties of 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene?
2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene has a molecular weight of 274.45 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1Z,4Z)-1-ethyl-5-thiophen-2-ylhexa-1,4-dienyl]thiophene is sourced from PubChem (CID 59972359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).