2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one

C48H92O10Si6 — CID 90949079

IUPAC2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(OCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1.CCCC(C)(C)C(=O)c1ccc(OCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1
InChIInChI=1S/C25H48O5Si3.C23H44O5Si3/c1-11-17-25(2,3)24(26)22-13-15-23(16-14-22)28-20-19-27-18-12-21-33(10,29-31(4,5)6)30-32(7,8)9;1-23(2,3)22(24)20-12-14-21(15-13-20)26-18-17-25-16-11-19-31(10,27-29(4,5)6)28-30(7,8)9/h13-16H,11-12,17-21H2,1-10H3;12-15H,11,16-19H2,1-10H3
InChIKeyMODCYNFHXZSHPB-UHFFFAOYSA-N
MW997.77 g/mol
LogP13.73
Rot. Bonds29

About 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one

2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one (PubChem CID 90949079) has the molecular formula C48H92O10Si6 and a molecular weight of 997.77 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one
PubChem CID90949079
Molecular FormulaC48H92O10Si6
Molecular Weight997.77 g/mol
Exact Mass996.53
IUPAC Name2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(OCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1.CCCC(C)(C)C(=O)c1ccc(OCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1
InChIInChI=1S/C25H48O5Si3.C23H44O5Si3/c1-11-17-25(2,3)24(26)22-13-15-23(16-14-22)28-20-19-27-18-12-21-33(10,29-31(4,5)6)30-32(7,8)9;1-23(2,3)22(24)20-12-14-21(15-13-20)26-18-17-25-16-11-19-31(10,27-29(4,5)6)28-30(7,8)9/h13-16H,11-12,17-21H2,1-10H3;12-15H,11,16-19H2,1-10H3
InChIKeyMODCYNFHXZSHPB-UHFFFAOYSA-N
XLogP13.73
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds29
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.77
LogP ≤ 513.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one with MolForge

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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
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
1-[4-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one
CID 18728701
ethane;methane;methyl 2-[4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-oxoacetate
CID 161327572
5-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2,2-dimethylpentan-1-one
CID 169026151
1-[4-[3-[[3-[4-[2-[dimethyl(trimethylsilyloxy)silyl]oxy-2-methylpropanoyl]phenoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxy]phenyl]-2-hydroxy-2-methylpropan-1-one;1-[4-[[[4-(2-hydroxy-2-methylpropanoyl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]oxyphenyl]-2,2-dimethylpropan-1-one;1-[4-[3-[[[4-(2-hydroxy-2-methylpropanoyl)phenoxy]-dimethylsilyl]oxy-dimethylsilyl]propoxy]phenyl]-2,2-dimethylpropan-1-one
CID 157288356
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
ethyl 2-[4-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]oxyphenyl]-2-oxoacetate;ethyl 2-[4-[3-[[[4-(2-ethoxy-2-oxoacetyl)phenoxy]-methyl-trimethylsilyloxysilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]phenyl]-2-oxoacetate;ethyl 2-oxo-2-(4-propoxyphenyl)acetate
CID 158486381
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
CID 157392457

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one (CID 90949079) is 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one is CC(C)(C)C(=O)c1ccc(OCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1.CCCC(C)(C)C(=O)c1ccc(OCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one?
The InChIKey is MODCYNFHXZSHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O5Si3.C23H44O5Si3/c1-11-17-25(2,3)24(26)22-13-15-23(16-14-22)28-20-19-27-18-12-21-33(10,29-31(4,5)6)30-32(7,8)9;1-23(2,3)22(24)20-12-14-21(15-13-20)26-18-17-25-16-11-19-31(10,27-29(4,5)6)28-30(7,8)9/h13-16H,11-12,17-21H2,1-10H3;12-15H,11,16-19H2,1-10H3.
What are the key properties of 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one?
2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one has a molecular weight of 997.77 g/mol, XLogP of 13.73, 29 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]pentan-1-one;2,2-dimethyl-1-[4-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]phenyl]propan-1-one is sourced from PubChem (CID 90949079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).