2,4,4-trimethylhexan-2-yloxymethylbenzene

C16H26O — CID 123305221

IUPAC2,4,4-trimethylhexan-2-yloxymethylbenzene
SMILESCCC(C)(C)CC(C)(C)OCc1ccccc1
InChIInChI=1S/C16H26O/c1-6-15(2,3)13-16(4,5)17-12-14-10-8-7-9-11-14/h7-11H,6,12-13H2,1-5H3
InChIKeyVSRARBVTNOFOIA-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.81
Rot. Bonds6

About 2,4,4-trimethylhexan-2-yloxymethylbenzene

2,4,4-trimethylhexan-2-yloxymethylbenzene (PubChem CID 123305221) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2,4,4-trimethylhexan-2-yloxymethylbenzene.

Molecular Properties

Compound Name2,4,4-trimethylhexan-2-yloxymethylbenzene
PubChem CID123305221
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2,4,4-trimethylhexan-2-yloxymethylbenzene
SMILESCCC(C)(C)CC(C)(C)OCc1ccccc1
InChIInChI=1S/C16H26O/c1-6-15(2,3)13-16(4,5)17-12-14-10-8-7-9-11-14/h7-11H,6,12-13H2,1-5H3
InChIKeyVSRARBVTNOFOIA-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,4,6,6-pentamethylheptan-2-yloxymethylbenzene
CID 164583804
ethane;2,4,4-trimethylpentan-2-yloxymethylbenzene
CID 158923607
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
2-methylhexan-2-yloxymethylbenzene
CID 134222440
4-methylheptan-4-yloxymethylbenzene
CID 20782055
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene
CID 158709206
azane;2,2-dimethylbutylbenzene
CID 175285583
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylhexan-2-yloxymethylbenzene?
The IUPAC name of 2,4,4-trimethylhexan-2-yloxymethylbenzene (CID 123305221) is 2,4,4-trimethylhexan-2-yloxymethylbenzene.
What is the SMILES notation for 2,4,4-trimethylhexan-2-yloxymethylbenzene?
The canonical SMILES for 2,4,4-trimethylhexan-2-yloxymethylbenzene is CCC(C)(C)CC(C)(C)OCc1ccccc1.
What is the InChIKey of 2,4,4-trimethylhexan-2-yloxymethylbenzene?
The InChIKey is VSRARBVTNOFOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-15(2,3)13-16(4,5)17-12-14-10-8-7-9-11-14/h7-11H,6,12-13H2,1-5H3.
What are the key properties of 2,4,4-trimethylhexan-2-yloxymethylbenzene?
2,4,4-trimethylhexan-2-yloxymethylbenzene has a molecular weight of 234.38 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylhexan-2-yloxymethylbenzene is sourced from PubChem (CID 123305221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).