1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate

C20H46O8Si4 — CID 139675871

IUPAC1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate
SMILESCC(C)(C)OC(=O)C(O)CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H46O8Si4/c1-20(2,3)25-19(23)17(21)16-18(22)24-14-13-15-32(26-29(4,5)6,27-30(7,8)9)28-31(10,11)12/h17,21H,13-16H2,1-12H3
InChIKeyXMMCMSYGCCNTLW-UHFFFAOYSA-N
MW526.92 g/mol
LogP4.51
Rot. Bonds13

About 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate

1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate (PubChem CID 139675871) has the molecular formula C20H46O8Si4 and a molecular weight of 526.92 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate
PubChem CID139675871
Molecular FormulaC20H46O8Si4
Molecular Weight526.92 g/mol
Exact Mass526.23
IUPAC Name1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate
SMILESCC(C)(C)OC(=O)C(O)CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C20H46O8Si4/c1-20(2,3)25-19(23)17(21)16-18(22)24-14-13-15-32(26-29(4,5)6,27-30(7,8)9)28-31(10,11)12/h17,21H,13-16H2,1-12H3
InChIKeyXMMCMSYGCCNTLW-UHFFFAOYSA-N
XLogP4.51
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.92
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate 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-O-butyl 4-O-tert-butyl (2R)-2-hydroxybutanedioate
CID 129183738
tert-butyl (2R)-2-hydroxy-4-oxopentanoate
CID 122681724
1-O-methyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] but-2-enedioate
CID 54485160
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
tris(2-methylprop-2-enamide);3-tris(trimethylsilyloxy)silylpropyl 2-methylprop-2-enoate
CID 158000142
3-[3-tris(trimethylsilyloxy)silylpropoxy]propyl prop-2-enoate
CID 59642122
tert-butyl 2,3-dihydroxypropanoate
CID 22035660
tert-butyl 2,3-dihydroxypropanoate;hydrate
CID 141006669
tert-butyl 2-hydroxy-4,4-dimethylpentanoate
CID 139995556
3-tris[[dimethyl-[2-tris(trimethylsilyloxy)silylethyl]silyl]oxy]silylpropyl 2-methylprop-2-enoate
CID 88568225
3-tris[tris(trimethylsilyloxy)silyloxy]silylpropyl 2-methylprop-2-enoate
CID 54059170
tert-butyl (2R)-2-hydroxy-5-methyl-4-methylidenehex-5-enoate
CID 101239216

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate?
The IUPAC name of 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate (CID 139675871) is 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate.
What is the SMILES notation for 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate?
The canonical SMILES for 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate is CC(C)(C)OC(=O)C(O)CC(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate?
The InChIKey is XMMCMSYGCCNTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O8Si4/c1-20(2,3)25-19(23)17(21)16-18(22)24-14-13-15-32(26-29(4,5)6,27-30(7,8)9)28-31(10,11)12/h17,21H,13-16H2,1-12H3.
What are the key properties of 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate?
1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate has a molecular weight of 526.92 g/mol, XLogP of 4.51, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-[3-tris(trimethylsilyloxy)silylpropyl] 2-hydroxybutanedioate is sourced from PubChem (CID 139675871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).