[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate

C24H48O9Si3 — CID 90793278

IUPAC[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate
SMILESC[Si](C)(C)O[Si](C)(CCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)C1=O)O[Si](C)(C)C
InChIInChI=1S/C24H48O9Si3/c1-34(2,3)32-36(7,33-35(4,5)6)17-15-13-11-9-8-10-12-14-16-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,22-23,25,28H,8-18H2,1-7H3
InChIKeyUCKPDIZDRGSIPP-UHFFFAOYSA-N
MW564.90 g/mol
LogP4.03
Rot. Bonds18

About [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate

[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate (PubChem CID 90793278) has the molecular formula C24H48O9Si3 and a molecular weight of 564.90 g/mol. Its IUPAC name is [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate.

Molecular Properties

Compound Name[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate
PubChem CID90793278
Molecular FormulaC24H48O9Si3
Molecular Weight564.90 g/mol
Exact Mass564.26
IUPAC Name[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate
SMILESC[Si](C)(C)O[Si](C)(CCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)C1=O)O[Si](C)(C)C
InChIInChI=1S/C24H48O9Si3/c1-34(2,3)32-36(7,33-35(4,5)6)17-15-13-11-9-8-10-12-14-16-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,22-23,25,28H,8-18H2,1-7H3
InChIKeyUCKPDIZDRGSIPP-UHFFFAOYSA-N
XLogP4.03
TPSA128.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.90
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate?
The IUPAC name of [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate (CID 90793278) is [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate.
What is the SMILES notation for [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate?
The canonical SMILES for [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate is C[Si](C)(C)O[Si](C)(CCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)C1=O)O[Si](C)(C)C.
What is the InChIKey of [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate?
The InChIKey is UCKPDIZDRGSIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O9Si3/c1-34(2,3)32-36(7,33-35(4,5)6)17-15-13-11-9-8-10-12-14-16-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,22-23,25,28H,8-18H2,1-7H3.
What are the key properties of [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate?
[2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate has a molecular weight of 564.90 g/mol, XLogP of 4.03, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-2-(4-hydroxy-3,5-dioxooxolan-2-yl)ethyl] 11-[methyl-bis(trimethylsilyloxy)silyl]undecanoate is sourced from PubChem (CID 90793278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).