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

C18H16O3 — CID 101386559

IUPAC3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran
SMILESC=CC1=C(C#CC2=C(C#CC3=CCOC3)COC2)COC1
InChIInChI=1S/C18H16O3/c1-2-15-10-20-11-16(15)5-6-18-13-21-12-17(18)4-3-14-7-8-19-9-14/h2,7H,1,8-13H2
InChIKeyCUJLDIQSTGUJHE-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.79
Rot. Bonds1

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

3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran (PubChem CID 101386559) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran.

Molecular Properties

Compound Name3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran
PubChem CID101386559
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran
SMILESC=CC1=C(C#CC2=C(C#CC3=CCOC3)COC2)COC1
InChIInChI=1S/C18H16O3/c1-2-15-10-20-11-16(15)5-6-18-13-21-12-17(18)4-3-14-7-8-19-9-14/h2,7H,1,8-13H2
InChIKeyCUJLDIQSTGUJHE-UHFFFAOYSA-N
XLogP1.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
1-[2-[3-Ethynyl-2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]-2-(methoxymethyl)-3-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237624
2-(Methoxymethyl)-1-[4-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]buta-1,3-diynyl]cyclopenta-1,3-diene
CID 102237625
2-(Methoxymethyl)-1,3-bis[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237631
2-(Methoxymethyl)-1-[2-[2-(methoxymethyl)cyclopenta-1,3-dien-1-yl]ethynyl]cyclopenta-1,3-diene
CID 102237633

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-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-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran (CID 101386559) is 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-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-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-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran is C=CC1=C(C#CC2=C(C#CC3=CCOC3)COC2)COC1.
What is the InChIKey of 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran?
The InChIKey is CUJLDIQSTGUJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-2-15-10-20-11-16(15)5-6-18-13-21-12-17(18)4-3-14-7-8-19-9-14/h2,7H,1,8-13H2.
What are the key properties of 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran?
3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran has a molecular weight of 280.32 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dihydrofuran-3-yl)ethynyl]-4-[2-(4-ethenyl-2,5-dihydrofuran-3-yl)ethynyl]-2,5-dihydrofuran is sourced from PubChem (CID 101386559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).