4-methylheptan-4-yloxymethylbenzene

C15H24O — CID 20782055

IUPAC4-methylheptan-4-yloxymethylbenzene
SMILESCCCC(C)(CCC)OCc1ccccc1
InChIInChI=1S/C15H24O/c1-4-11-15(3,12-5-2)16-13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3
InChIKeyISDAKMGOSYERIT-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.56
Rot. Bonds7

About 4-methylheptan-4-yloxymethylbenzene

4-methylheptan-4-yloxymethylbenzene (PubChem CID 20782055) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methylheptan-4-yloxymethylbenzene.

Molecular Properties

Compound Name4-methylheptan-4-yloxymethylbenzene
PubChem CID20782055
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-methylheptan-4-yloxymethylbenzene
SMILESCCCC(C)(CCC)OCc1ccccc1
InChIInChI=1S/C15H24O/c1-4-11-15(3,12-5-2)16-13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3
InChIKeyISDAKMGOSYERIT-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methylhexan-2-yloxymethylbenzene
CID 134222440
N-ethyl-2-methyl-2-phenylmethoxybutan-1-amine
CID 62353232
(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethylbenzene
CID 114772524
(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
1,1-difluorohexoxymethylbenzene
CID 67797942
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
N-methyl-2-phenylmethoxypropan-2-amine
CID 144538471
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
(3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal
CID 71388640
2,4,4-trimethylhexan-2-yloxymethylbenzene
CID 123305221
(2S)-2-methyl-3-octadecoxy-2-phenylmethoxypropan-1-ol
CID 69098016

Frequently Asked Questions

What is the IUPAC name of 4-methylheptan-4-yloxymethylbenzene?
The IUPAC name of 4-methylheptan-4-yloxymethylbenzene (CID 20782055) is 4-methylheptan-4-yloxymethylbenzene.
What is the SMILES notation for 4-methylheptan-4-yloxymethylbenzene?
The canonical SMILES for 4-methylheptan-4-yloxymethylbenzene is CCCC(C)(CCC)OCc1ccccc1.
What is the InChIKey of 4-methylheptan-4-yloxymethylbenzene?
The InChIKey is ISDAKMGOSYERIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-11-15(3,12-5-2)16-13-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3.
What are the key properties of 4-methylheptan-4-yloxymethylbenzene?
4-methylheptan-4-yloxymethylbenzene has a molecular weight of 220.36 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylheptan-4-yloxymethylbenzene is sourced from PubChem (CID 20782055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).