6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate

C22H46O6Si2 — CID 54077641

IUPAC6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate
SMILESCCC(C)(CC(=O)OCCC[Si](C)(C)O[Si](C)(C)C)CC(C)(C)C(=O)OCCOC
InChIInChI=1S/C22H46O6Si2/c1-11-22(4,18-21(2,3)20(24)27-15-14-25-5)17-19(23)26-13-12-16-30(9,10)28-29(6,7)8/h11-18H2,1-10H3
InChIKeyMKVMJWCNXCKAGD-UHFFFAOYSA-N
MW462.78 g/mol
LogP5.39
Rot. Bonds15

About 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate

6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate (PubChem CID 54077641) has the molecular formula C22H46O6Si2 and a molecular weight of 462.78 g/mol. Its IUPAC name is 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate.

Molecular Properties

Compound Name6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate
PubChem CID54077641
Molecular FormulaC22H46O6Si2
Molecular Weight462.78 g/mol
Exact Mass462.28
IUPAC Name6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate
SMILESCCC(C)(CC(=O)OCCC[Si](C)(C)O[Si](C)(C)C)CC(C)(C)C(=O)OCCOC
InChIInChI=1S/C22H46O6Si2/c1-11-22(4,18-21(2,3)20(24)27-15-14-25-5)17-19(23)26-13-12-16-30(9,10)28-29(6,7)8/h11-18H2,1-10H3
InChIKeyMKVMJWCNXCKAGD-UHFFFAOYSA-N
XLogP5.39
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.78
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 6-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-hexanoate
CID 99768813
Ethyl 7-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylheptanoate
CID 53712144
1-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 5-O-(2-methoxyethyl) 2-ethyl-2,4,4-trimethylpentanedioate
CID 53729023
Methyl 5-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]-2-ethyl-2,4,4-trimethylpentanoate
CID 53784532
3-[4-[[Dimethyl(propan-2-yl)silyl]oxy-dimethylsilyl]butanoyloxy]propyl 5-methylhexanoate
CID 57981655
6-O-[2-[3-[[dimethyl(propan-2-yl)silyl]oxy-dimethylsilyl]propoxy]ethyl] 1-O-[2-(4-methylpentoxy)ethyl] hexanedioate
CID 57981657
6-O-[3-[2-[butyl(dimethyl)silyl]ethoxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2-ethyl-2,4,5-trimethylhexanedioate
CID 58645060
1-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 6-O-(2-methylpropyl) 5-ethyl-2,2,3,3,5-pentamethylhexanedioate
CID 59018721
1-O-[3-[dimethoxy(methyl)silyl]propyl] 6-O-(2-methoxyethyl) 2-bromo-2,4,4-trimethylhexanedioate
CID 59707715
6-O-[3-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl] 1-O-(2-methylpropyl) 2,2,4,5-tetramethylhexanedioate
CID 60032804
2-Methylpropyl 6-[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]-2,4-diethyl-2,5-dimethylhexanoate
CID 60140886
3-Tris(trimethylsilyloxy)silylpropyl 2,4,4-trimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 89545780

Frequently Asked Questions

What is the IUPAC name of 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate?
The IUPAC name of 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate (CID 54077641) is 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate.
What is the SMILES notation for 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate?
The canonical SMILES for 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate is CCC(C)(CC(=O)OCCC[Si](C)(C)O[Si](C)(C)C)CC(C)(C)C(=O)OCCOC.
What is the InChIKey of 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate?
The InChIKey is MKVMJWCNXCKAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O6Si2/c1-11-22(4,18-21(2,3)20(24)27-15-14-25-5)17-19(23)26-13-12-16-30(9,10)28-29(6,7)8/h11-18H2,1-10H3.
What are the key properties of 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate?
6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate has a molecular weight of 462.78 g/mol, XLogP of 5.39, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-[3-[dimethyl(trimethylsilyloxy)silyl]propyl] 1-O-(2-methoxyethyl) 4-ethyl-2,2,4-trimethylhexanedioate is sourced from PubChem (CID 54077641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).