[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene

C22H32O2 — CID 158709206

IUPAC[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene
SMILESCC(C)(C)OCc1ccccc1.[2H]C([2H])(OC(C)(C)C)c1ccccc1
InChIInChI=1S/2C11H16O/c2*1-11(2,3)12-9-10-7-5-4-6-8-10/h2*4-8H,9H2,1-3H3/i9D2;
InChIKeyIIMVDTGCDMWLSM-PWLDLRDISA-N
MW330.51 g/mol
LogP6.00
Rot. Bonds4

About [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene

[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene (PubChem CID 158709206) has the molecular formula C22H32O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene.

Molecular Properties

Compound Name[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene
PubChem CID158709206
Molecular FormulaC22H32O2
Molecular Weight330.51 g/mol
Exact Mass330.25
IUPAC Name[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene
SMILESCC(C)(C)OCc1ccccc1.[2H]C([2H])(OC(C)(C)C)c1ccccc1
InChIInChI=1S/2C11H16O/c2*1-11(2,3)12-9-10-7-5-4-6-8-10/h2*4-8H,9H2,1-3H3/i9D2;
InChIKeyIIMVDTGCDMWLSM-PWLDLRDISA-N
XLogP6.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2,3-dimethylbutan-2-yl)oxymethylbenzene
CID 13234795
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 12709980
1-tert-butyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 10932990
(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
2,4,4-trimethylhexan-2-yloxymethylbenzene
CID 123305221
ethane;1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 144538467
2-methyl-2-phenylmethoxybutanoic acid
CID 14683642
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
4-methylheptan-4-yloxymethylbenzene
CID 20782055

Frequently Asked Questions

What is the IUPAC name of [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene?
The IUPAC name of [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene (CID 158709206) is [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene.
What is the SMILES notation for [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene?
The canonical SMILES for [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene is CC(C)(C)OCc1ccccc1.[2H]C([2H])(OC(C)(C)C)c1ccccc1.
What is the InChIKey of [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene?
The InChIKey is IIMVDTGCDMWLSM-PWLDLRDISA-N. The full InChI is InChI=1S/2C11H16O/c2*1-11(2,3)12-9-10-7-5-4-6-8-10/h2*4-8H,9H2,1-3H3/i9D2;.
What are the key properties of [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene?
[dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene has a molecular weight of 330.51 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [dideuterio-[(2-methylpropan-2-yl)oxy]methyl]benzene;(2-methylpropan-2-yl)oxymethylbenzene is sourced from PubChem (CID 158709206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).