6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran

C19H30O3 — CID 21485191

IUPAC6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran
SMILESCCOC(C)(C)CCCC(C)Oc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C19H30O3/c1-6-20-19(4,5)11-7-8-14(2)21-17-10-9-16-12-15(3)22-18(16)13-17/h9-10,13-15H,6-8,11-12H2,1-5H3
InChIKeyMVMZRTIMZLSEEB-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.76
Rot. Bonds8

About 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran

6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran (PubChem CID 21485191) has the molecular formula C19H30O3 and a molecular weight of 306.45 g/mol. Its IUPAC name is 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran
PubChem CID21485191
Molecular FormulaC19H30O3
Molecular Weight306.45 g/mol
Exact Mass306.22
IUPAC Name6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran
SMILESCCOC(C)(C)CCCC(C)Oc1ccc2c(c1)OC(C)C2
InChIInChI=1S/C19H30O3/c1-6-20-19(4,5)11-7-8-14(2)21-17-10-9-16-12-15(3)22-18(16)13-17/h9-10,13-15H,6-8,11-12H2,1-5H3
InChIKeyMVMZRTIMZLSEEB-UHFFFAOYSA-N
XLogP4.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran (CID 21485191) is 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran is CCOC(C)(C)CCCC(C)Oc1ccc2c(c1)OC(C)C2.
What is the InChIKey of 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is MVMZRTIMZLSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O3/c1-6-20-19(4,5)11-7-8-14(2)21-17-10-9-16-12-15(3)22-18(16)13-17/h9-10,13-15H,6-8,11-12H2,1-5H3.
What are the key properties of 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran?
6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 306.45 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxy-6-methylheptan-2-yl)oxy-2-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 21485191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).