3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran

C34H28O6 — CID 101386562

IUPAC3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran
SMILESC(#CC1=C(C#CC2=C(/C=C/C3=C(C#CC4=C(C#CC5=CCOC5)COC4)COC3)COC2)COC1)C1=CCOC1
InChIInChI=1S/C34H28O6/c1(25-11-13-35-15-25)3-27-17-37-19-29(27)5-7-31-21-39-23-33(31)9-10-34-24-40-22-32(34)8-6-30-20-38-18-28(30)4-2-26-12-14-36-16-26/h9-12H,13-24H2/b10-9+
InChIKeyPCSLDBADOLXFLB-MDZDMXLPSA-N
MW532.59 g/mol
LogP2.78
Rot. Bonds2

About 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran

3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran (PubChem CID 101386562) has the molecular formula C34H28O6 and a molecular weight of 532.59 g/mol. Its IUPAC name is 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran.

Molecular Properties

Compound Name3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran
PubChem CID101386562
Molecular FormulaC34H28O6
Molecular Weight532.59 g/mol
Exact Mass532.19
IUPAC Name3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran
SMILESC(#CC1=C(C#CC2=C(/C=C/C3=C(C#CC4=C(C#CC5=CCOC5)COC4)COC3)COC2)COC1)C1=CCOC1
InChIInChI=1S/C34H28O6/c1(25-11-13-35-15-25)3-27-17-37-19-29(27)5-7-31-21-39-23-33(31)9-10-34-24-40-22-32(34)8-6-30-20-38-18-28(30)4-2-26-12-14-36-16-26/h9-12H,13-24H2/b10-9+
InChIKeyPCSLDBADOLXFLB-MDZDMXLPSA-N
XLogP2.78
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.59
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(2,5-Dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran
CID 101386559
1-[2-[4-[2-[3-Ethynyl-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-5-(methoxymethyl)cyclopenta-1,4-dien-1-yl]ethynyl]-2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237627
1-(Methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-[4-[2-(methoxymethyl)-4-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,4-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene
CID 102237628

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran?
The IUPAC name of 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran (CID 101386562) is 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran.
What is the SMILES notation for 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran?
The canonical SMILES for 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran is C(#CC1=C(C#CC2=C(/C=C/C3=C(C#CC4=C(C#CC5=CCOC5)COC4)COC3)COC2)COC1)C1=CCOC1.
What is the InChIKey of 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran?
The InChIKey is PCSLDBADOLXFLB-MDZDMXLPSA-N. The full InChI is InChI=1S/C34H28O6/c1(25-11-13-35-15-25)3-27-17-37-19-29(27)5-7-31-21-39-23-33(31)9-10-34-24-40-22-32(34)8-6-30-20-38-18-28(30)4-2-26-12-14-36-16-26/h9-12H,13-24H2/b10-9+.
What are the key properties of 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran?
3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran has a molecular weight of 532.59 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-[4-[(E)-2-[4-[2-[4-[2-(2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran-3-yl]ethenyl]-2,5-dihydrofuran-3-yl]ethynyl]-2,5-dihydrofuran is sourced from PubChem (CID 101386562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).