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

C32H54O12Si2 — CID 122391666

IUPAC19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane
SMILESC[Si]1(C#C[Si]2(C)OOC3(CCCCCC3)OOC3(CCCCCC3)OO2)OOC2(CCCCCC2)OOC2(CCCCCC2)OO1
InChIInChI=1S/C32H54O12Si2/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/h3-26H2,1-2H3
InChIKeyYXDBVIOEQSDGBU-UHFFFAOYSA-N
MW686.94 g/mol
LogP8.13
Rot. Bonds

About 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethynyl]-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)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane (PubChem CID 122391666) has the molecular formula C32H54O12Si2 and a molecular weight of 686.94 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)ethynyl]-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)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane
PubChem CID122391666
Molecular FormulaC32H54O12Si2
Molecular Weight686.94 g/mol
Exact Mass686.32
IUPAC Name19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane
SMILESC[Si]1(C#C[Si]2(C)OOC3(CCCCCC3)OOC3(CCCCCC3)OO2)OOC2(CCCCCC2)OOC2(CCCCCC2)OO1
InChIInChI=1S/C32H54O12Si2/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/h3-26H2,1-2H3
InChIKeyYXDBVIOEQSDGBU-UHFFFAOYSA-N
XLogP8.13
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500686.94
LogP ≤ 58.13
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'}, {'alert_name': 'triple_bond', '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)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane with MolForge

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Related Compounds

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
17-methyl-17-[2-(17-methyl-7,8,15,16,18,19-hexaoxa-17-siladispiro[5.2.59.56]nonadecan-17-yl)ethyl]-7,8,15,16,18,19-hexaoxa-17-siladispiro[5.2.59.56]nonadecane
CID 122391662
7,8,10,11-tetraoxatrispiro[5.2.2.512.39.36]tricosane
CID 24939149
29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane
CID 101467838
28-cyclohexyl-28-methyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.1115.312]nonacosane
CID 25259779
3-methyl-3-(3-methyl-1,2,4-trioxaspiro[4.5]decan-3-yl)-1,2,4-trioxaspiro[4.5]decane
CID 10925067
3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
CID 122183191
3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
CID 122210381
11,12,23,24-tetraoxadispiro[9.2.913.210]tetracosane-5,18-dione
CID 13127875
N-cyclopropyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-amine
CID 15946638
3-methyl-3-(3,5,5-trimethyl-1,2,4-trioxolan-3-yl)-1,2,4-trioxaspiro[4.5]decane
CID 85281037
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
CID 24828450

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)ethynyl]-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)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane (CID 122391666) is 19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethynyl]-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)ethynyl]-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)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane is C[Si]1(C#C[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)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane?
The InChIKey is YXDBVIOEQSDGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54O12Si2/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/h3-26H2,1-2H3.
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)ethynyl]-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)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane has a molecular weight of 686.94 g/mol, XLogP of 8.13, 0 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)ethynyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane is sourced from PubChem (CID 122391666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).