2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene

C17H28O2 — CID 140958911

IUPAC2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(OC(C)(C)C)cc1OC(C)(C)C
InChIInChI=1S/C17H28O2/c1-12(2)14-10-9-13(18-16(3,4)5)11-15(14)19-17(6,7)8/h9-12H,1-8H3
InChIKeyOKSOJVHOVGWLHH-UHFFFAOYSA-N
MW264.41 g/mol
LogP5.16
Rot. Bonds3

About 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene

2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene (PubChem CID 140958911) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene
PubChem CID140958911
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(OC(C)(C)C)cc1OC(C)(C)C
InChIInChI=1S/C17H28O2/c1-12(2)14-10-9-13(18-16(3,4)5)11-15(14)19-17(6,7)8/h9-12H,1-8H3
InChIKeyOKSOJVHOVGWLHH-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene?
The IUPAC name of 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene (CID 140958911) is 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene.
What is the SMILES notation for 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene?
The canonical SMILES for 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene is CC(C)c1ccc(OC(C)(C)C)cc1OC(C)(C)C.
What is the InChIKey of 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene?
The InChIKey is OKSOJVHOVGWLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12(2)14-10-9-13(18-16(3,4)5)11-15(14)19-17(6,7)8/h9-12H,1-8H3.
What are the key properties of 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene?
2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene has a molecular weight of 264.41 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[(2-methylpropan-2-yl)oxy]-1-propan-2-ylbenzene is sourced from PubChem (CID 140958911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).