2-methylhexan-2-yloxymethylbenzene

C14H22O — CID 134222440

IUPAC2-methylhexan-2-yloxymethylbenzene
SMILESCCCCC(C)(C)OCc1ccccc1
InChIInChI=1S/C14H22O/c1-4-5-11-14(2,3)15-12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyOZXCILNOSMLRMD-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.17
Rot. Bonds6

About 2-methylhexan-2-yloxymethylbenzene

2-methylhexan-2-yloxymethylbenzene (PubChem CID 134222440) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methylhexan-2-yloxymethylbenzene.

Molecular Properties

Compound Name2-methylhexan-2-yloxymethylbenzene
PubChem CID134222440
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methylhexan-2-yloxymethylbenzene
SMILESCCCCC(C)(C)OCc1ccccc1
InChIInChI=1S/C14H22O/c1-4-5-11-14(2,3)15-12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3
InChIKeyOZXCILNOSMLRMD-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methylheptan-4-yloxymethylbenzene
CID 20782055
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
1,1-difluorohexoxymethylbenzene
CID 67797942
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471
2,4,4-trimethylhexan-2-yloxymethylbenzene
CID 123305221
ethane;2,4,4-trimethylpentan-2-yloxymethylbenzene
CID 158923607
(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid
CID 142647385
2-methylhexan-2-yl phenylmethanesulfonate
CID 139969051
2-[3-methyl-3-(3-methyl-3-phenylmethoxybutoxy)butoxy]ethyl icosanoate
CID 134219078
2-methyl-2-propoxyhexane
CID 91043348
2-methylhexan-2-ylperoxybenzene
CID 151514509
1-fluoro-4-(2-methylpentan-2-yloxymethyl)benzene
CID 135141224

Frequently Asked Questions

What is the IUPAC name of 2-methylhexan-2-yloxymethylbenzene?
The IUPAC name of 2-methylhexan-2-yloxymethylbenzene (CID 134222440) is 2-methylhexan-2-yloxymethylbenzene.
What is the SMILES notation for 2-methylhexan-2-yloxymethylbenzene?
The canonical SMILES for 2-methylhexan-2-yloxymethylbenzene is CCCCC(C)(C)OCc1ccccc1.
What is the InChIKey of 2-methylhexan-2-yloxymethylbenzene?
The InChIKey is OZXCILNOSMLRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-5-11-14(2,3)15-12-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3.
What are the key properties of 2-methylhexan-2-yloxymethylbenzene?
2-methylhexan-2-yloxymethylbenzene has a molecular weight of 206.33 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexan-2-yloxymethylbenzene is sourced from PubChem (CID 134222440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).