1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one

C14H22O3Si — CID 123960079

IUPAC1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one
SMILESCO[SiH](C)COc1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H22O3Si/c1-14(2,3)13(15)11-6-8-12(9-7-11)17-10-18(5)16-4/h6-9,18H,10H2,1-5H3
InChIKeyCFAALHYNKGHFOK-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.83
Rot. Bonds5

About 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one

1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one (PubChem CID 123960079) has the molecular formula C14H22O3Si and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one
PubChem CID123960079
Molecular FormulaC14H22O3Si
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one
SMILESCO[SiH](C)COc1ccc(C(=O)C(C)(C)C)cc1
InChIInChI=1S/C14H22O3Si/c1-14(2,3)13(15)11-6-8-12(9-7-11)17-10-18(5)16-4/h6-9,18H,10H2,1-5H3
InChIKeyCFAALHYNKGHFOK-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
2,2-dimethyl-1-(4-pentadecoxyphenyl)propan-1-one
CID 59409741
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
1-[4-[4-(4-tert-butylphenoxy)phenoxy]phenyl]-2,2-dimethylpropan-1-one
CID 20643573
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
2,2-dimethyl-1-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenyl]propan-1-one
CID 155206857
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
2,2-dimethyl-1-(4-methylsulfanylphenyl)propan-1-one;1-(4-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 159934991
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
2-hydroxy-1-[4-(hydroxymethoxy)phenyl]-2-methylpropan-1-one;methane
CID 162256777
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819
2-[methoxy(methyl)silyl]oxy-1-[4-[methoxy(methyl)silyl]oxyphenyl]-2-methylpropan-1-one
CID 123466771

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one (CID 123960079) is 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one is CO[SiH](C)COc1ccc(C(=O)C(C)(C)C)cc1.
What is the InChIKey of 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one?
The InChIKey is CFAALHYNKGHFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3Si/c1-14(2,3)13(15)11-6-8-12(9-7-11)17-10-18(5)16-4/h6-9,18H,10H2,1-5H3.
What are the key properties of 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one?
1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one has a molecular weight of 266.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[methoxy(methyl)silyl]methoxy]phenyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 123960079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).