(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene

C14H16S — CID 126515640

IUPAC(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene
SMILESC=C/C=C\c1sc(=C/C)/c(=C\C)c1C=C
InChIInChI=1S/C14H16S/c1-5-9-10-14-12(7-3)11(6-2)13(8-4)15-14/h5-10H,1,3H2,2,4H3/b10-9-,11-6-,13-8+
InChIKeyCZSLQZFPRXQASP-JPMURYSISA-N
MW216.35 g/mol
LogP3.19
Rot. Bonds3

About (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene

(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene (PubChem CID 126515640) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene.

Molecular Properties

Compound Name(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene
PubChem CID126515640
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene
SMILESC=C/C=C\c1sc(=C/C)/c(=C\C)c1C=C
InChIInChI=1S/C14H16S/c1-5-9-10-14-12(7-3)11(6-2)13(8-4)15-14/h5-10H,1,3H2,2,4H3/b10-9-,11-6-,13-8+
InChIKeyCZSLQZFPRXQASP-JPMURYSISA-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene?
The IUPAC name of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene (CID 126515640) is (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene.
What is the SMILES notation for (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene?
The canonical SMILES for (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene is C=C/C=C\c1sc(=C/C)/c(=C\C)c1C=C.
What is the InChIKey of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene?
The InChIKey is CZSLQZFPRXQASP-JPMURYSISA-N. The full InChI is InChI=1S/C14H16S/c1-5-9-10-14-12(7-3)11(6-2)13(8-4)15-14/h5-10H,1,3H2,2,4H3/b10-9-,11-6-,13-8+.
What are the key properties of (4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene?
(4Z,5E)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene 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)-2-[(1Z)-buta-1,3-dienyl]-3-ethenyl-4,5-di(ethylidene)thiophene is sourced from PubChem (CID 126515640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).