6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran

C19H26O2 — CID 21485121

IUPAC6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
SMILESCC(/C=C/CC(C)(C)C)=C\COc1ccc2c(c1)OCC2
InChIInChI=1S/C19H26O2/c1-15(6-5-11-19(2,3)4)9-12-20-17-8-7-16-10-13-21-18(16)14-17/h5-9,14H,10-13H2,1-4H3/b6-5+,15-9+
InChIKeyXAQZZKLEOIBXTE-LODDJISYSA-N
MW286.42 g/mol
LogP4.94
Rot. Bonds5

About 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran

6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran (PubChem CID 21485121) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
PubChem CID21485121
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
SMILESCC(/C=C/CC(C)(C)C)=C\COc1ccc2c(c1)OCC2
InChIInChI=1S/C19H26O2/c1-15(6-5-11-19(2,3)4)9-12-20-17-8-7-16-10-13-21-18(16)14-17/h5-9,14H,10-13H2,1-4H3/b6-5+,15-9+
InChIKeyXAQZZKLEOIBXTE-LODDJISYSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran (CID 21485121) is 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran is CC(/C=C/CC(C)(C)C)=C\COc1ccc2c(c1)OCC2.
What is the InChIKey of 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran?
The InChIKey is XAQZZKLEOIBXTE-LODDJISYSA-N. The full InChI is InChI=1S/C19H26O2/c1-15(6-5-11-19(2,3)4)9-12-20-17-8-7-16-10-13-21-18(16)14-17/h5-9,14H,10-13H2,1-4H3/b6-5+,15-9+.
What are the key properties of 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran?
6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran has a molecular weight of 286.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 21485121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).