dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate

C23H50O5Si3 — CID 54420260

IUPACdimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate
SMILESCCC(C)(CC(CCC(C)(C)C[Si](C)(C)O[Si](C)(C)[Si](C)(C)C)C(=O)OC)C(=O)OC
InChIInChI=1S/C23H50O5Si3/c1-14-23(4,21(25)27-6)17-19(20(24)26-5)15-16-22(2,3)18-30(10,11)28-31(12,13)29(7,8)9/h19H,14-18H2,1-13H3
InChIKeyWAHGBQOJPGJSKK-UHFFFAOYSA-N
MW490.91 g/mol
LogP6.40
Rot. Bonds13

About dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate

dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate (PubChem CID 54420260) has the molecular formula C23H50O5Si3 and a molecular weight of 490.91 g/mol. Its IUPAC name is dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate.

Molecular Properties

Compound Namedimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate
PubChem CID54420260
Molecular FormulaC23H50O5Si3
Molecular Weight490.91 g/mol
Exact Mass490.30
IUPAC Namedimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate
SMILESCCC(C)(CC(CCC(C)(C)C[Si](C)(C)O[Si](C)(C)[Si](C)(C)C)C(=O)OC)C(=O)OC
InChIInChI=1S/C23H50O5Si3/c1-14-23(4,21(25)27-6)17-19(20(24)26-5)15-16-22(2,3)18-30(10,11)28-31(12,13)29(7,8)9/h19H,14-18H2,1-13H3
InChIKeyWAHGBQOJPGJSKK-UHFFFAOYSA-N
XLogP6.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.91
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate with MolForge

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Related Compounds

Dimethyl 2-butyl-2,4-bis(trimethylsilyl)pentanedioate
CID 14435999
Dimethyl 2-(3-methylbutyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436003
Dimethyl 2-(2-methylpropyl)-2,4-bis(trimethylsilyl)pentanedioate
CID 14436005
Methyl 2,2-dimethyl-4-(formylmethyl)-8-(t-butyldimethylsiloxy)octanoate
CID 14986674
2-Ethyl-4-methoxycarbonyl-2,6,6-trimethyl-7-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-7-oxoheptanoic acid
CID 18684367
4-Methoxycarbonyl-2,4,6-trimethyl-2-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butyl]-7-[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl]oxy-7-oxoheptanoic acid
CID 18684370
CID 21057450
CID 21057450
Dimethyl 2-(3,4-dimethylpentan-2-yl)-2,3,4,4-tetramethylpentanedioate
CID 21337073
7-Ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid
CID 22982942
Dimethyl 4-(3,3-dimethylbutyl)-2-ethyl-2-methylpentanedioate;[dimethyl(2-methylprop-2-enyl)silyl]oxy-dimethyl-trimethylsilyloxysilane;dimethyl-trimethylsilyl-trimethylsilyloxysilane
CID 53720018
1-O-[3-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]propyl] 4-O-(2-methoxyethyl) 6-O,8-O-dimethyl 1,1,8-trimethyldecane-1,4,6,8-tetracarboxylate
CID 53793795
5-O-[4-[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]butyl] 3-O-methyl 1-O-octadecyl 1,1,3-trimethylhexane-1,3,5-tricarboxylate
CID 57583291

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate?
The IUPAC name of dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate (CID 54420260) is dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate.
What is the SMILES notation for dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate?
The canonical SMILES for dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate is CCC(C)(CC(CCC(C)(C)C[Si](C)(C)O[Si](C)(C)[Si](C)(C)C)C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate?
The InChIKey is WAHGBQOJPGJSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O5Si3/c1-14-23(4,21(25)27-6)17-19(20(24)26-5)15-16-22(2,3)18-30(10,11)28-31(12,13)29(7,8)9/h19H,14-18H2,1-13H3.
What are the key properties of dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate?
dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate has a molecular weight of 490.91 g/mol, XLogP of 6.40, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[4-[[dimethyl(trimethylsilyl)silyl]oxy-dimethylsilyl]-3,3-dimethylbutyl]-2-ethyl-2-methylpentanedioate is sourced from PubChem (CID 54420260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).