1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane

C23H43NO4Si2 — CID 157392457

IUPAC1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
SMILESC.CC(C)(C(=O)c1ccc(OCCC[Si](C)(C)O[Si](C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C22H39NO4Si2.CH4/c1-22(2,23-13-16-25-17-14-23)21(24)19-9-11-20(12-10-19)26-15-8-18-29(6,7)27-28(3,4)5;/h9-12H,8,13-18H2,1-7H3;1H4
InChIKeyBMDXXMFANFAITK-UHFFFAOYSA-N
MW453.77 g/mol
LogP5.44
Rot. Bonds10

About 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane

1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane (PubChem CID 157392457) has the molecular formula C23H43NO4Si2 and a molecular weight of 453.77 g/mol. Its IUPAC name is 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane.

Molecular Properties

Compound Name1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
PubChem CID157392457
Molecular FormulaC23H43NO4Si2
Molecular Weight453.77 g/mol
Exact Mass453.27
IUPAC Name1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
SMILESC.CC(C)(C(=O)c1ccc(OCCC[Si](C)(C)O[Si](C)(C)C)cc1)N1CCOCC1
InChIInChI=1S/C22H39NO4Si2.CH4/c1-22(2,23-13-16-25-17-14-23)21(24)19-9-11-20(12-10-19)26-15-8-18-29(6,7)27-28(3,4)5;/h9-12H,8,13-18H2,1-7H3;1H4
InChIKeyBMDXXMFANFAITK-UHFFFAOYSA-N
XLogP5.44
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.77
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866996
2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one
CID 18728748
2-methyl-1-[4-[methyl-bis(trimethylsilyloxy)silyl]oxyphenyl]-2-morpholin-4-ylpropan-1-one
CID 18728755
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-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 18728701
2-methyl-2-morpholin-4-yl-1-[4-(3-trimethoxysilylpropylsulfanyl)phenyl]propan-1-one
CID 58085412
1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866876
3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetyl]oxypropyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]acetate;methane
CID 159883399
1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866835
1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867028
1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane?
The IUPAC name of 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane (CID 157392457) is 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane.
What is the SMILES notation for 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane?
The canonical SMILES for 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane is C.CC(C)(C(=O)c1ccc(OCCC[Si](C)(C)O[Si](C)(C)C)cc1)N1CCOCC1.
What is the InChIKey of 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane?
The InChIKey is BMDXXMFANFAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39NO4Si2.CH4/c1-22(2,23-13-16-25-17-14-23)21(24)19-9-11-20(12-10-19)26-15-8-18-29(6,7)27-28(3,4)5;/h9-12H,8,13-18H2,1-7H3;1H4.
What are the key properties of 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane?
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane has a molecular weight of 453.77 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane is sourced from PubChem (CID 157392457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).