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

C28H50O12Si2 — CID 122391662

IUPAC17-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
SMILESC[Si]1(CC[Si]2(C)OOC3(CCCCC3)OOC3(CCCCC3)OO2)OOC2(CCCCC2)OOC2(CCCCC2)OO1
InChIInChI=1S/C28H50O12Si2/c1-41(37-33-25(15-7-3-8-16-25)29-30-26(34-38-41)17-9-4-10-18-26)23-24-42(2)39-35-27(19-11-5-12-20-27)31-32-28(36-40-42)21-13-6-14-22-28/h3-24H2,1-2H3
InChIKeyLYPHXNIFNLAEOF-UHFFFAOYSA-N
MW634.87 g/mol
LogP7.49
Rot. Bonds3

About 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

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 (PubChem CID 122391662) has the molecular formula C28H50O12Si2 and a molecular weight of 634.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17-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
PubChem CID122391662
Molecular FormulaC28H50O12Si2
Molecular Weight634.87 g/mol
Exact Mass634.28
IUPAC Name17-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
SMILESC[Si]1(CC[Si]2(C)OOC3(CCCCC3)OOC3(CCCCC3)OO2)OOC2(CCCCC2)OOC2(CCCCC2)OO1
InChIInChI=1S/C28H50O12Si2/c1-41(37-33-25(15-7-3-8-16-25)29-30-26(34-38-41)17-9-4-10-18-26)23-24-42(2)39-35-27(19-11-5-12-20-27)31-32-28(36-40-42)21-13-6-14-22-28/h3-24H2,1-2H3
InChIKeyLYPHXNIFNLAEOF-UHFFFAOYSA-N
XLogP7.49
TPSA110.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500634.87
LogP ≤ 57.49
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 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 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
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
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
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
CID 24828450
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine
CID 24828451
17-(iodomethyl)-17-methyl-13,14,18,19,26,27-hexaoxaspiro[11.15]heptacosane
CID 4866661
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[Si]1(CC[Si]2(C)OOC3(CCCCC3)OOC3(CCCCC3)OO2)OOC2(CCCCC2)OOC2(CCCCC2)OO1.
What is the InChIKey of 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?
The InChIKey is LYPHXNIFNLAEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50O12Si2/c1-41(37-33-25(15-7-3-8-16-25)29-30-26(34-38-41)17-9-4-10-18-26)23-24-42(2)39-35-27(19-11-5-12-20-27)31-32-28(36-40-42)21-13-6-14-22-28/h3-24H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 634.87 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122391662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).