[1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate

C18H42O7Si4 — CID 54385608

IUPAC[1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)CO
InChIInChI=1S/C18H42O7Si4/c1-15(2)18(21)22-17(16(20)14-19)12-13-29(23-26(3,4)5,24-27(6,7)8)25-28(9,10)11/h16-17,19-20H,1,12-14H2,2-11H3
InChIKeyVDAJLWOICUNBQG-UHFFFAOYSA-N
MW482.87 g/mol
LogP3.71
Rot. Bonds13

About [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate

[1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate (PubChem CID 54385608) has the molecular formula C18H42O7Si4 and a molecular weight of 482.87 g/mol. Its IUPAC name is [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate
PubChem CID54385608
Molecular FormulaC18H42O7Si4
Molecular Weight482.87 g/mol
Exact Mass482.20
IUPAC Name[1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)CO
InChIInChI=1S/C18H42O7Si4/c1-15(2)18(21)22-17(16(20)14-19)12-13-29(23-26(3,4)5,24-27(6,7)8)25-28(9,10)11/h16-17,19-20H,1,12-14H2,2-11H3
InChIKeyVDAJLWOICUNBQG-UHFFFAOYSA-N
XLogP3.71
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.87
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate (CID 54385608) is [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)C(O)CO.
What is the InChIKey of [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate?
The InChIKey is VDAJLWOICUNBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O7Si4/c1-15(2)18(21)22-17(16(20)14-19)12-13-29(23-26(3,4)5,24-27(6,7)8)25-28(9,10)11/h16-17,19-20H,1,12-14H2,2-11H3.
What are the key properties of [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate?
[1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate has a molecular weight of 482.87 g/mol, XLogP of 3.71, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-dihydroxy-5-tris(trimethylsilyloxy)silylpentan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 54385608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).