2-pentyl-5-(5-phenylpent-1-ynyl)furan

C20H24O — CID 141073846

IUPAC2-pentyl-5-(5-phenylpent-1-ynyl)furan
SMILESCCCCCc1ccc(C#CCCCc2ccccc2)o1
InChIInChI=1S/C20H24O/c1-2-3-6-14-19-16-17-20(21-19)15-10-5-9-13-18-11-7-4-8-12-18/h4,7-8,11-12,16-17H,2-3,5-6,9,13-14H2,1H3
InChIKeyTXTQOVUNCFEVGK-UHFFFAOYSA-N
MW280.41 g/mol
LogP5.39
Rot. Bonds7

About 2-pentyl-5-(5-phenylpent-1-ynyl)furan

2-pentyl-5-(5-phenylpent-1-ynyl)furan (PubChem CID 141073846) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-pentyl-5-(5-phenylpent-1-ynyl)furan.

Molecular Properties

Compound Name2-pentyl-5-(5-phenylpent-1-ynyl)furan
PubChem CID141073846
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2-pentyl-5-(5-phenylpent-1-ynyl)furan
SMILESCCCCCc1ccc(C#CCCCc2ccccc2)o1
InChIInChI=1S/C20H24O/c1-2-3-6-14-19-16-17-20(21-19)15-10-5-9-13-18-11-7-4-8-12-18/h4,7-8,11-12,16-17H,2-3,5-6,9,13-14H2,1H3
InChIKeyTXTQOVUNCFEVGK-UHFFFAOYSA-N
XLogP5.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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octylbenzene
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octacosylbenzene
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hexylbenzene;hydrogen peroxide
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CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
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dichlorophosphane;octylbenzene
CID 173449895

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-5-(5-phenylpent-1-ynyl)furan?
The IUPAC name of 2-pentyl-5-(5-phenylpent-1-ynyl)furan (CID 141073846) is 2-pentyl-5-(5-phenylpent-1-ynyl)furan.
What is the SMILES notation for 2-pentyl-5-(5-phenylpent-1-ynyl)furan?
The canonical SMILES for 2-pentyl-5-(5-phenylpent-1-ynyl)furan is CCCCCc1ccc(C#CCCCc2ccccc2)o1.
What is the InChIKey of 2-pentyl-5-(5-phenylpent-1-ynyl)furan?
The InChIKey is TXTQOVUNCFEVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O/c1-2-3-6-14-19-16-17-20(21-19)15-10-5-9-13-18-11-7-4-8-12-18/h4,7-8,11-12,16-17H,2-3,5-6,9,13-14H2,1H3.
What are the key properties of 2-pentyl-5-(5-phenylpent-1-ynyl)furan?
2-pentyl-5-(5-phenylpent-1-ynyl)furan has a molecular weight of 280.41 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-5-(5-phenylpent-1-ynyl)furan is sourced from PubChem (CID 141073846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).