6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran

C20H30O3 — CID 21485168

IUPAC6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran
SMILESCOC(CC/C(C)=C/COc1ccc2c(c1)OCC2)C(C)(C)C
InChIInChI=1S/C20H30O3/c1-15(6-9-19(21-5)20(2,3)4)10-12-22-17-8-7-16-11-13-23-18(16)14-17/h7-8,10,14,19H,6,9,11-13H2,1-5H3/b15-10+
InChIKeyCBXHMRPMJSSMNI-XNTDXEJSSA-N
MW318.46 g/mol
LogP4.79
Rot. Bonds7

About 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran

6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran (PubChem CID 21485168) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran
PubChem CID21485168
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran
SMILESCOC(CC/C(C)=C/COc1ccc2c(c1)OCC2)C(C)(C)C
InChIInChI=1S/C20H30O3/c1-15(6-9-19(21-5)20(2,3)4)10-12-22-17-8-7-16-11-13-23-18(16)14-17/h7-8,10,14,19H,6,9,11-13H2,1-5H3/b15-10+
InChIKeyCBXHMRPMJSSMNI-XNTDXEJSSA-N
XLogP4.79
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran with MolForge

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Related Compounds

6-(7-ethyl-3-methylnon-2-enoxy)-2,3-dihydro-1-benzofuran
CID 54350423
6-[(2E,4E)-3,7,7-trimethylocta-2,4-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485121
6-[3-methyl-5-[3-methyl-3-(2-methylpropyl)oxiran-2-yl]pent-2-enoxy]-2,3-dihydro-1-benzofuran
CID 54207005
7-[5-(3-ethyl-3-methyloxiran-2-yl)-3-methylpent-2-enoxy]-3,4-dihydro-2H-chromene
CID 54081276
6-[(E)-7-methoxy-3,7-dimethylnon-2-enoxy]-3,3-dimethyl-2H-1-benzofuran
CID 70638851
6-(7-ethyl-7-methoxy-3-methylnon-2-enoxy)-3,3-dimethyl-2H-1-benzofuran
CID 54102125
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
2-methyl-6-[(2E)-3,6,7-trimethylocta-2,6-dienoxy]-2,3-dihydro-1-benzofuran
CID 21485171
5-(3-methyl-5-pentan-3-yloxypent-2-enoxy)-1,3-benzodioxole
CID 154193308
[(3R,6E,10E)-2-hydroxy-2,6,10-trimethyl-12-(2-methylidenechromen-7-yl)oxydodeca-6,10-dien-3-yl] acetate
CID 58388328
6-(difluoromethoxy)-2,3-dihydro-1-benzofuran
CID 177206683

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran (CID 21485168) is 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran is COC(CC/C(C)=C/COc1ccc2c(c1)OCC2)C(C)(C)C.
What is the InChIKey of 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran?
The InChIKey is CBXHMRPMJSSMNI-XNTDXEJSSA-N. The full InChI is InChI=1S/C20H30O3/c1-15(6-9-19(21-5)20(2,3)4)10-12-22-17-8-7-16-11-13-23-18(16)14-17/h7-8,10,14,19H,6,9,11-13H2,1-5H3/b15-10+.
What are the key properties of 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran?
6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran has a molecular weight of 318.46 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-6-methoxy-3,7,7-trimethyloct-2-enoxy]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 21485168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).