(4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene

C14H16S — CID 139336791

IUPAC(4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene
SMILESC=Cc1sc(=C/C)/c(=C\C=C/C)c1C=C
InChIInChI=1S/C14H16S/c1-5-9-10-12-11(6-2)13(7-3)15-14(12)8-4/h5-10H,2-3H2,1,4H3/b9-5-,12-10-,14-8+
InChIKeyBRILAVUWBLKIRF-SYFCHPOQSA-N
MW216.35 g/mol
LogP3.19
Rot. Bonds3

About (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene

(4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene (PubChem CID 139336791) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene.

Molecular Properties

Compound Name(4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene
PubChem CID139336791
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name(4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene
SMILESC=Cc1sc(=C/C)/c(=C\C=C/C)c1C=C
InChIInChI=1S/C14H16S/c1-5-9-10-12-11(6-2)13(7-3)15-14(12)8-4/h5-10H,2-3H2,1,4H3/b9-5-,12-10-,14-8+
InChIKeyBRILAVUWBLKIRF-SYFCHPOQSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene?
The IUPAC name of (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene (CID 139336791) is (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene.
What is the SMILES notation for (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene?
The canonical SMILES for (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene is C=Cc1sc(=C/C)/c(=C\C=C/C)c1C=C.
What is the InChIKey of (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene?
The InChIKey is BRILAVUWBLKIRF-SYFCHPOQSA-N. The full InChI is InChI=1S/C14H16S/c1-5-9-10-12-11(6-2)13(7-3)15-14(12)8-4/h5-10H,2-3H2,1,4H3/b9-5-,12-10-,14-8+.
What are the key properties of (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene?
(4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene has a molecular weight of 216.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-[(Z)-but-2-enylidene]-2,3-bis(ethenyl)-5-ethylidenethiophene is sourced from PubChem (CID 139336791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).