19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane

C32H58O12Si2 — CID 122391663

IUPAC19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane
SMILESC[Si]1(CC[Si]2(C)OOC3(CCCCCC3)OOC3(CCCCCC3)OO2)OOC2(CCCCCC2)OOC2(CCCCCC2)OO1
InChIInChI=1S/C32H58O12Si2/c1-45(41-37-29(19-11-3-4-12-20-29)33-34-30(38-42-45)21-13-5-6-14-22-30)27-28-46(2)43-39-31(23-15-7-8-16-24-31)35-36-32(40-44-46)25-17-9-10-18-26-32/h3-28H2,1-2H3
InChIKeyZPKKXCDWFXMMFG-UHFFFAOYSA-N
MW690.98 g/mol
LogP9.05
Rot. Bonds3

About 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane

19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane (PubChem CID 122391663) has the molecular formula C32H58O12Si2 and a molecular weight of 690.98 g/mol. Its IUPAC name is 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane.

Molecular Properties

Compound Name19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane
PubChem CID122391663
Molecular FormulaC32H58O12Si2
Molecular Weight690.98 g/mol
Exact Mass690.35
IUPAC Name19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane
SMILESC[Si]1(CC[Si]2(C)OOC3(CCCCCC3)OOC3(CCCCCC3)OO2)OOC2(CCCCCC2)OOC2(CCCCCC2)OO1
InChIInChI=1S/C32H58O12Si2/c1-45(41-37-29(19-11-3-4-12-20-29)33-34-30(38-42-45)21-13-5-6-14-22-30)27-28-46(2)43-39-31(23-15-7-8-16-24-31)35-36-32(40-44-46)25-17-9-10-18-26-32/h3-28H2,1-2H3
InChIKeyZPKKXCDWFXMMFG-UHFFFAOYSA-N
XLogP9.05
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500690.98
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane?
The IUPAC name of 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane (CID 122391663) is 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane.
What is the SMILES notation for 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane?
The canonical SMILES for 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane is C[Si]1(CC[Si]2(C)OOC3(CCCCCC3)OOC3(CCCCCC3)OO2)OOC2(CCCCCC2)OOC2(CCCCCC2)OO1.
What is the InChIKey of 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane?
The InChIKey is ZPKKXCDWFXMMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58O12Si2/c1-45(41-37-29(19-11-3-4-12-20-29)33-34-30(38-42-45)21-13-5-6-14-22-30)27-28-46(2)43-39-31(23-15-7-8-16-24-31)35-36-32(40-44-46)25-17-9-10-18-26-32/h3-28H2,1-2H3.
What are the key properties of 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane?
19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane has a molecular weight of 690.98 g/mol, XLogP of 9.05, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane is sourced from PubChem (CID 122391663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).