1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one

C20H34O2Si — CID 21186576

IUPAC1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
SMILESCCC(=O)c1cc(C)c(O[Si](C(C)C)(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C20H34O2Si/c1-10-19(21)18-11-16(8)20(17(9)12-18)22-23(13(2)3,14(4)5)15(6)7/h11-15H,10H2,1-9H3
InChIKeyRCDIJBZKEFKYRH-UHFFFAOYSA-N
MW334.58 g/mol
LogP6.45
Rot. Bonds7

About 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one

1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one (PubChem CID 21186576) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one.

Molecular Properties

Compound Name1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
PubChem CID21186576
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
SMILESCCC(=O)c1cc(C)c(O[Si](C(C)C)(C(C)C)C(C)C)c(C)c1
InChIInChI=1S/C20H34O2Si/c1-10-19(21)18-11-16(8)20(17(9)12-18)22-23(13(2)3,14(4)5)15(6)7/h11-15H,10H2,1-9H3
InChIKeyRCDIJBZKEFKYRH-UHFFFAOYSA-N
XLogP6.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.58
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3,5-dimethylphenyl)propan-1-one
CID 114329578
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
4-(4-methoxy-3,5-dimethylphenyl)-2-methyl-4-oxobutanoic acid
CID 116918457
1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
1-[3-methoxy-5-methyl-4-(methylamino)phenyl]propan-1-one
CID 129231374
1-[3,5-bis(methylamino)phenyl]propan-1-one
CID 59059856
2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
1-[2-bromo-3-fluoro-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one
CID 67670236
1-[3,5-bis(sulfanyl)phenyl]propan-1-one
CID 118852624
methyl 3,5-bis[tri(propan-2-yl)silyloxy]benzoate
CID 13134332
1-(4-chloro-3,5-dimethylphenyl)butan-1-one
CID 91656871

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The IUPAC name of 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one (CID 21186576) is 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one.
What is the SMILES notation for 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The canonical SMILES for 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one is CCC(=O)c1cc(C)c(O[Si](C(C)C)(C(C)C)C(C)C)c(C)c1.
What is the InChIKey of 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
The InChIKey is RCDIJBZKEFKYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-10-19(21)18-11-16(8)20(17(9)12-18)22-23(13(2)3,14(4)5)15(6)7/h11-15H,10H2,1-9H3.
What are the key properties of 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one?
1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one has a molecular weight of 334.58 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-4-tri(propan-2-yl)silyloxyphenyl]propan-1-one is sourced from PubChem (CID 21186576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).