2-methyl-2-(4-methylphenyl)oxane

C13H18O — CID 132966146

IUPAC2-methyl-2-(4-methylphenyl)oxane
SMILESCc1ccc(C2(C)CCCCO2)cc1
InChIInChI=1S/C13H18O/c1-11-5-7-12(8-6-11)13(2)9-3-4-10-14-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyJQUOUDFLGFSEEG-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.41
Rot. Bonds1

About 2-methyl-2-(4-methylphenyl)oxane

2-methyl-2-(4-methylphenyl)oxane (PubChem CID 132966146) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)oxane.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)oxane
PubChem CID132966146
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-methyl-2-(4-methylphenyl)oxane
SMILESCc1ccc(C2(C)CCCCO2)cc1
InChIInChI=1S/C13H18O/c1-11-5-7-12(8-6-11)13(2)9-3-4-10-14-13/h5-8H,3-4,9-10H2,1-2H3
InChIKeyJQUOUDFLGFSEEG-UHFFFAOYSA-N
XLogP3.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)oxane?
The IUPAC name of 2-methyl-2-(4-methylphenyl)oxane (CID 132966146) is 2-methyl-2-(4-methylphenyl)oxane.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)oxane?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)oxane is Cc1ccc(C2(C)CCCCO2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)oxane?
The InChIKey is JQUOUDFLGFSEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-11-5-7-12(8-6-11)13(2)9-3-4-10-14-13/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 2-methyl-2-(4-methylphenyl)oxane?
2-methyl-2-(4-methylphenyl)oxane has a molecular weight of 190.29 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)oxane is sourced from PubChem (CID 132966146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).