2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol

C24H58O5Si4 — CID 123211110

IUPAC2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol
SMILESCC(C)(C)CC(C)(C(O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C24H58O5Si4/c1-22(2,3)20-24(7,23(4,5)6)21(25)26-18-17-19-33(27-30(8,9)10,28-31(11,12)13)29-32(14,15)16/h21,25H,17-20H2,1-16H3
InChIKeyNPBVJAYBKYNFQQ-UHFFFAOYSA-N
MW539.07 g/mol
LogP7.69
Rot. Bonds13

About 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol

2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol (PubChem CID 123211110) has the molecular formula C24H58O5Si4 and a molecular weight of 539.07 g/mol. Its IUPAC name is 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol
PubChem CID123211110
Molecular FormulaC24H58O5Si4
Molecular Weight539.07 g/mol
Exact Mass538.34
IUPAC Name2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol
SMILESCC(C)(C)CC(C)(C(O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(C)(C)C
InChIInChI=1S/C24H58O5Si4/c1-22(2,3)20-24(7,23(4,5)6)21(25)26-18-17-19-33(27-30(8,9)10,28-31(11,12)13)29-32(14,15)16/h21,25H,17-20H2,1-16H3
InChIKeyNPBVJAYBKYNFQQ-UHFFFAOYSA-N
XLogP7.69
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.07
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol?
The IUPAC name of 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol (CID 123211110) is 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol.
What is the SMILES notation for 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol?
The canonical SMILES for 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol is CC(C)(C)CC(C)(C(O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol?
The InChIKey is NPBVJAYBKYNFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H58O5Si4/c1-22(2,3)20-24(7,23(4,5)6)21(25)26-18-17-19-33(27-30(8,9)10,28-31(11,12)13)29-32(14,15)16/h21,25H,17-20H2,1-16H3.
What are the key properties of 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol?
2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol has a molecular weight of 539.07 g/mol, XLogP of 7.69, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,4,4-trimethyl-1-[3-tris(trimethylsilyloxy)silylpropoxy]pentan-1-ol is sourced from PubChem (CID 123211110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).