1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate

C24H54O8Si4 — CID 58108481

IUPAC1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OCCO)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H54O8Si4/c1-14-24(4,20-23(2,3)21(26)29-18-16-25)22(27)28-17-15-19-36(30-33(5,6)7,31-34(8,9)10)32-35(11,12)13/h25H,14-20H2,1-13H3
InChIKeyVJNGJFDNRDQUNJ-UHFFFAOYSA-N
MW583.03 g/mol
LogP5.78
Rot. Bonds17

About 1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate

1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate (PubChem CID 58108481) has the molecular formula C24H54O8Si4 and a molecular weight of 583.03 g/mol. Its IUPAC name is 1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate.

Molecular Properties

Compound Name1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate
PubChem CID58108481
Molecular FormulaC24H54O8Si4
Molecular Weight583.03 g/mol
Exact Mass582.29
IUPAC Name1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OCCO)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C24H54O8Si4/c1-14-24(4,20-23(2,3)21(26)29-18-16-25)22(27)28-17-15-19-36(30-33(5,6)7,31-34(8,9)10)32-35(11,12)13/h25H,14-20H2,1-13H3
InChIKeyVJNGJFDNRDQUNJ-UHFFFAOYSA-N
XLogP5.78
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.03
LogP ≤ 55.78
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate?
The IUPAC name of 1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate (CID 58108481) is 1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate.
What is the SMILES notation for 1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate?
The canonical SMILES for 1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate is CCC(C)(CC(C)(C)C(=O)OCCO)C(=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-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate?
The InChIKey is VJNGJFDNRDQUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H54O8Si4/c1-14-24(4,20-23(2,3)21(26)29-18-16-25)22(27)28-17-15-19-36(30-33(5,6)7,31-34(8,9)10)32-35(11,12)13/h25H,14-20H2,1-13H3.
What are the key properties of 1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate?
1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate has a molecular weight of 583.03 g/mol, XLogP of 5.78, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-(2-hydroxyethyl) 5-O-[3-tris(trimethylsilyloxy)silylpropyl] 4-ethyl-2,2,4-trimethylpentanedioate is sourced from PubChem (CID 58108481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).