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

C20H28O2 — CID 21485204

IUPAC2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
SMILESCC(/C=C/CC(C)(C)C)=C\COc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C20H28O2/c1-15(7-6-11-20(3,4)5)10-12-21-18-9-8-17-13-16(2)22-19(17)14-18/h6-10,14,16H,11-13H2,1-5H3/b7-6+,15-10+
InChIKeyCJUVAVUXCJYZKP-HCRXKHKBSA-N
MW300.44 g/mol
LogP5.33
Rot. Bonds5

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

2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran (PubChem CID 21485204) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
PubChem CID21485204
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
SMILESCC(/C=C/CC(C)(C)C)=C\COc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C20H28O2/c1-15(7-6-11-20(3,4)5)10-12-21-18-9-8-17-13-16(2)22-19(17)14-18/h6-10,14,16H,11-13H2,1-5H3/b7-6+,15-10+
InChIKeyCJUVAVUXCJYZKP-HCRXKHKBSA-N
XLogP5.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485121
2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485171
6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran
CID 54221554
6-[(E)-6-ethoxy-3,6-dimethylhept-2-enoxy]-2-methyl-2,3-dihydro-1-benzofuran
CID 70638608
6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran
CID 21485246
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran
CID 21485191
1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-6-yl]ethanol
CID 135313148
2-(4-methoxyphenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
CID 166627035
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
2-(4-chlorophenyl)-7-(3-methylbut-2-enoxy)-2,3-dihydrochromen-4-one
CID 166628671
2-(6-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 83883232

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran (CID 21485204) is 2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-methyl-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)OC(C)C2.
What is the InChIKey of 2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran?
The InChIKey is CJUVAVUXCJYZKP-HCRXKHKBSA-N. The full InChI is InChI=1S/C20H28O2/c1-15(7-6-11-20(3,4)5)10-12-21-18-9-8-17-13-16(2)22-19(17)14-18/h6-10,14,16H,11-13H2,1-5H3/b7-6+,15-10+.
What are the key properties of 2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran?
2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran has a molecular weight of 300.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 21485204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).