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

C20H28O2 — CID 21485171

IUPAC2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran
SMILESCC(C)=C(C)CC/C(C)=C/COc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C20H28O2/c1-14(2)16(4)7-6-15(3)10-11-21-19-9-8-18-12-17(5)22-20(18)13-19/h8-10,13,17H,6-7,11-12H2,1-5H3/b15-10+
InChIKeyKQGRBWGYVFMFLU-XNTDXEJSSA-N
MW300.44 g/mol
LogP5.47
Rot. Bonds6

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

2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran (PubChem CID 21485171) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran
PubChem CID21485171
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran
SMILESCC(C)=C(C)CC/C(C)=C/COc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C20H28O2/c1-14(2)16(4)7-6-15(3)10-11-21-19-9-8-18-12-17(5)22-20(18)13-19/h8-10,13,17H,6-7,11-12H2,1-5H3/b15-10+
InChIKeyKQGRBWGYVFMFLU-XNTDXEJSSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

6-[(E)-6-ethoxy-3,6-dimethylhept-2-enoxy]-2-methyl-2,3-dihydro-1-benzofuran
CID 70638608
6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran
CID 54221554
2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485204
3,3-dimethyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2H-1-benzofuran
CID 70638481
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran
CID 54350423
5-[5-(2,2-dimethylcyclopropyl)-3-methylpent-2-enoxy]-1,3-benzodioxole
CID 70122710
7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene
CID 54081276
6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran
CID 21485168
6-[3-methyl-5-[3-methyl-3-(2-methylpropyl)oxiran-2-yl]pent-2-enoxy]-2,3-dihydro-1-benzofuran
CID 54207005
6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran
CID 21485246
5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole
CID 154193308

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran (CID 21485171) is 2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran is CC(C)=C(C)CC/C(C)=C/COc1ccc2c(c1)OC(C)C2.
What is the InChIKey of 2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran?
The InChIKey is KQGRBWGYVFMFLU-XNTDXEJSSA-N. The full InChI is InChI=1S/C20H28O2/c1-14(2)16(4)7-6-15(3)10-11-21-19-9-8-18-12-17(5)22-20(18)13-19/h8-10,13,17H,6-7,11-12H2,1-5H3/b15-10+.
What are the key properties of 2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran?
2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran has a molecular weight of 300.44 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 21485171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).