2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene

C16H20S — CID 89276075

IUPAC2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene
SMILESC/C=C\C=C(/C)c1ccc(/C(C)=C/C=C\C)s1
InChIInChI=1S/C16H20S/c1-5-7-9-13(3)15-11-12-16(17-15)14(4)10-8-6-2/h5-12H,1-4H3/b7-5-,8-6-,13-9+,14-10+
InChIKeyCXOQGYYXMRPAAT-HRFZYNDSSA-N
MW244.40 g/mol
LogP5.71
Rot. Bonds4

About 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene

2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene (PubChem CID 89276075) has the molecular formula C16H20S and a molecular weight of 244.40 g/mol. Its IUPAC name is 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene.

Molecular Properties

Compound Name2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene
PubChem CID89276075
Molecular FormulaC16H20S
Molecular Weight244.40 g/mol
Exact Mass244.13
IUPAC Name2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene
SMILESC/C=C\C=C(/C)c1ccc(/C(C)=C/C=C\C)s1
InChIInChI=1S/C16H20S/c1-5-7-9-13(3)15-11-12-16(17-15)14(4)10-8-6-2/h5-12H,1-4H3/b7-5-,8-6-,13-9+,14-10+
InChIKeyCXOQGYYXMRPAAT-HRFZYNDSSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.40
LogP ≤ 55.71
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 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene?
The IUPAC name of 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene (CID 89276075) is 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene.
What is the SMILES notation for 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene?
The canonical SMILES for 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene is C/C=C\C=C(/C)c1ccc(/C(C)=C/C=C\C)s1.
What is the InChIKey of 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene?
The InChIKey is CXOQGYYXMRPAAT-HRFZYNDSSA-N. The full InChI is InChI=1S/C16H20S/c1-5-7-9-13(3)15-11-12-16(17-15)14(4)10-8-6-2/h5-12H,1-4H3/b7-5-,8-6-,13-9+,14-10+.
What are the key properties of 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene?
2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene has a molecular weight of 244.40 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene is sourced from PubChem (CID 89276075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).