6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran

C20H30O3 — CID 54221554

IUPAC6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCCOC(C)(C)CCC(C)=CCOc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C20H30O3/c1-6-22-20(4,5)11-9-15(2)10-12-21-18-8-7-17-13-16(3)23-19(17)14-18/h7-8,10,14,16H,6,9,11-13H2,1-5H3
InChIKeyQCXXOQAMHYNOIB-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.93
Rot. Bonds8

About 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran

6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 54221554) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID54221554
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran
SMILESCCOC(C)(C)CCC(C)=CCOc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C20H30O3/c1-6-22-20(4,5)11-9-15(2)10-12-21-18-8-7-17-13-16(3)23-19(17)14-18/h7-8,10,14,16H,6,9,11-13H2,1-5H3
InChIKeyQCXXOQAMHYNOIB-UHFFFAOYSA-N
XLogP4.93
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(E)-6-ethoxy-3,6-dimethylhept-2-enoxy]-2-methyl-2,3-dihydro-1-benzofuran
CID 70638608
2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485171
2-methyl-6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485204
6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran
CID 21485191
1-[(E)-3,7-dimethyl-7-propoxyoct-2-enoxy]-4-ethylbenzene
CID 5383800
1-(7-butoxy-3,7-dimethyloct-2-enoxy)-4-ethylbenzene
CID 54240615
6-[(E)-6,6-dimethylhept-3-en-2-yl]oxy-2-methyl-2,3-dihydro-1-benzofuran
CID 21485246
6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran
CID 54350423
7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene
CID 54081276
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
3,3-dimethyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2H-1-benzofuran
CID 70638481

Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran (CID 54221554) is 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran is CCOC(C)(C)CCC(C)=CCOc1ccc2c(c1)OC(C)C2.
What is the InChIKey of 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is QCXXOQAMHYNOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O3/c1-6-22-20(4,5)11-9-15(2)10-12-21-18-8-7-17-13-16(3)23-19(17)14-18/h7-8,10,14,16H,6,9,11-13H2,1-5H3.
What are the key properties of 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran?
6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 318.46 g/mol, XLogP of 4.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxy-3,6-dimethylhept-2-enoxy)-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 54221554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).