1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol

C19H46O6Si4 — CID 87060082

IUPAC1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol
SMILESC=C(C)COCC(O)COC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H46O6Si4/c1-13-19(22-16-18(20)15-21-14-17(2)3)29(23-26(4,5)6,24-27(7,8)9)25-28(10,11)12/h18-20H,2,13-16H2,1,3-12H3
InChIKeyMOKYZVGJXCWVGU-UHFFFAOYSA-N
MW482.92 g/mol
LogP4.77
Rot. Bonds15

About 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol

1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol (PubChem CID 87060082) has the molecular formula C19H46O6Si4 and a molecular weight of 482.92 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol
PubChem CID87060082
Molecular FormulaC19H46O6Si4
Molecular Weight482.92 g/mol
Exact Mass482.24
IUPAC Name1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol
SMILESC=C(C)COCC(O)COC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H46O6Si4/c1-13-19(22-16-18(20)15-21-14-17(2)3)29(23-26(4,5)6,24-27(7,8)9)25-28(10,11)12/h18-20H,2,13-16H2,1,3-12H3
InChIKeyMOKYZVGJXCWVGU-UHFFFAOYSA-N
XLogP4.77
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol?
The IUPAC name of 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol (CID 87060082) is 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol?
The canonical SMILES for 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol is C=C(C)COCC(O)COC(CC)[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol?
The InChIKey is MOKYZVGJXCWVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H46O6Si4/c1-13-19(22-16-18(20)15-21-14-17(2)3)29(23-26(4,5)6,24-27(7,8)9)25-28(10,11)12/h18-20H,2,13-16H2,1,3-12H3.
What are the key properties of 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol?
1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol has a molecular weight of 482.92 g/mol, XLogP of 4.77, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)-3-[1-tris(trimethylsilyloxy)silylpropoxy]propan-2-ol is sourced from PubChem (CID 87060082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).