2,5-bis(undec-1-enyl)furan

C26H44O — CID 90706742

IUPAC2,5-bis(undec-1-enyl)furan
SMILESCCCCCCCCCC=Cc1ccc(C=CCCCCCCCCC)o1
InChIInChI=1S/C26H44O/c1-3-5-7-9-11-13-15-17-19-21-25-23-24-26(27-25)22-20-18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyLUYSYALQBAXCOH-UHFFFAOYSA-N
MW372.64 g/mol
LogP9.59
Rot. Bonds18

About 2,5-bis(undec-1-enyl)furan

2,5-bis(undec-1-enyl)furan (PubChem CID 90706742) has the molecular formula C26H44O and a molecular weight of 372.64 g/mol. Its IUPAC name is 2,5-bis(undec-1-enyl)furan.

Molecular Properties

Compound Name2,5-bis(undec-1-enyl)furan
PubChem CID90706742
Molecular FormulaC26H44O
Molecular Weight372.64 g/mol
Exact Mass372.34
IUPAC Name2,5-bis(undec-1-enyl)furan
SMILESCCCCCCCCCC=Cc1ccc(C=CCCCCCCCCC)o1
InChIInChI=1S/C26H44O/c1-3-5-7-9-11-13-15-17-19-21-25-23-24-26(27-25)22-20-18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3
InChIKeyLUYSYALQBAXCOH-UHFFFAOYSA-N
XLogP9.59
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tridec-1-enylfuran
CID 76580057
8-[5-[(E)-hex-1-enyl]furan-2-yl]octan-1-ol
CID 11843588
[(E)-octadec-1-enyl]benzene
CID 22722345
1,2,4-trimethyl-3-oct-1-enylbenzene
CID 150667765
1,2,3-trimethyl-4-oct-1-enylbenzene
CID 173045984
nonacos-7-ene
CID 71381021
(Z)-triacont-9-ene
CID 57484178
hexacont-21-ene
CID 54293076
pentacos-9-ene
CID 25201650
(Z)-heptadec-8-ene
CID 5352243
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(undec-1-enyl)furan?
The IUPAC name of 2,5-bis(undec-1-enyl)furan (CID 90706742) is 2,5-bis(undec-1-enyl)furan.
What is the SMILES notation for 2,5-bis(undec-1-enyl)furan?
The canonical SMILES for 2,5-bis(undec-1-enyl)furan is CCCCCCCCCC=Cc1ccc(C=CCCCCCCCCC)o1.
What is the InChIKey of 2,5-bis(undec-1-enyl)furan?
The InChIKey is LUYSYALQBAXCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44O/c1-3-5-7-9-11-13-15-17-19-21-25-23-24-26(27-25)22-20-18-16-14-12-10-8-6-4-2/h19-24H,3-18H2,1-2H3.
What are the key properties of 2,5-bis(undec-1-enyl)furan?
2,5-bis(undec-1-enyl)furan has a molecular weight of 372.64 g/mol, XLogP of 9.59, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(undec-1-enyl)furan is sourced from PubChem (CID 90706742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).