6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran

C20H30O2 — CID 54350423

IUPAC6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran
SMILESCCC(CC)CCCC(C)=CCOc1ccc2c(c1)OCC2
InChIInChI=1S/C20H30O2/c1-4-17(5-2)8-6-7-16(3)11-13-21-19-10-9-18-12-14-22-20(18)15-19/h9-11,15,17H,4-8,12-14H2,1-3H3
InChIKeyUFIGAIJORTZLJH-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.55
Rot. Bonds9

About 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran

6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran (PubChem CID 54350423) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran
PubChem CID54350423
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran
SMILESCCC(CC)CCCC(C)=CCOc1ccc2c(c1)OCC2
InChIInChI=1S/C20H30O2/c1-4-17(5-2)8-6-7-16(3)11-13-21-19-10-9-18-12-14-22-20(18)15-19/h9-11,15,17H,4-8,12-14H2,1-3H3
InChIKeyUFIGAIJORTZLJH-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran (CID 54350423) is 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran is CCC(CC)CCCC(C)=CCOc1ccc2c(c1)OCC2.
What is the InChIKey of 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran?
The InChIKey is UFIGAIJORTZLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-4-17(5-2)8-6-7-16(3)11-13-21-19-10-9-18-12-14-22-20(18)15-19/h9-11,15,17H,4-8,12-14H2,1-3H3.
What are the key properties of 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran?
6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran has a molecular weight of 302.46 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 54350423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).