2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one

C21H39NO5Si3 — CID 18728755

IUPAC2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C21H39NO5Si3/c1-21(2,22-14-16-24-17-15-22)20(23)18-10-12-19(13-11-18)25-30(9,26-28(3,4)5)27-29(6,7)8/h10-13H,14-17H2,1-9H3
InChIKeyQIDWUXVKMUJRGX-UHFFFAOYSA-N
MW469.80 g/mol
LogP4.63
Rot. Bonds9

About 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one

2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one (PubChem CID 18728755) has the molecular formula C21H39NO5Si3 and a molecular weight of 469.80 g/mol. Its IUPAC name is 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one
PubChem CID18728755
Molecular FormulaC21H39NO5Si3
Molecular Weight469.80 g/mol
Exact Mass469.21
IUPAC Name2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one
SMILESCC(C)(C(=O)c1ccc(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C21H39NO5Si3/c1-21(2,22-14-16-24-17-15-22)20(23)18-10-12-19(13-11-18)25-30(9,26-28(3,4)5)27-29(6,7)8/h10-13H,14-17H2,1-9H3
InChIKeyQIDWUXVKMUJRGX-UHFFFAOYSA-N
XLogP4.63
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.80
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one
CID 18728748
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
CID 157392457
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867028
1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867019
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 129155311
1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866835
2-methyl-2-morpholin-4-yl-1-(4-phenylsulfanylphenyl)propan-1-one
CID 19879538
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
S-[4-(2-methyl-2-morpholin-4-ylpropanoyl)phenyl] methanethioate
CID 87506630
1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866876
2-methyl-1-[8-(2-methyl-2-morpholin-4-ylpropanoyl)thianthren-2-yl]-2-morpholin-4-ylpropan-1-one
CID 23325710

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one (CID 18728755) is 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one is CC(C)(C(=O)c1ccc(O[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1)N1CCOCC1.
What is the InChIKey of 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one?
The InChIKey is QIDWUXVKMUJRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39NO5Si3/c1-21(2,22-14-16-24-17-15-22)20(23)18-10-12-19(13-11-18)25-30(9,26-28(3,4)5)27-29(6,7)8/h10-13H,14-17H2,1-9H3.
What are the key properties of 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one?
2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one has a molecular weight of 469.80 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 18728755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).