trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane

C19H28O5Si — CID 15831450

IUPACtrimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C19H28O5Si/c1-25(2,3)15-6-17-4-5-18-19(16-17)24-14-12-22-10-8-20-7-9-21-11-13-23-18/h4-5,16H,7-14H2,1-3H3
InChIKeyRXCNVQXWGKGBSB-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.74
Rot. Bonds

About trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane

trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane (PubChem CID 15831450) has the molecular formula C19H28O5Si and a molecular weight of 364.51 g/mol. Its IUPAC name is trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane
PubChem CID15831450
Molecular FormulaC19H28O5Si
Molecular Weight364.51 g/mol
Exact Mass364.17
IUPAC Nametrimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane
SMILESC[Si](C)(C)C#Cc1ccc2c(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C19H28O5Si/c1-25(2,3)15-6-17-4-5-18-19(16-17)24-14-12-22-10-8-20-7-9-21-11-13-23-18/h4-5,16H,7-14H2,1-3H3
InChIKeyRXCNVQXWGKGBSB-UHFFFAOYSA-N
XLogP2.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-benzodioxol-5-yl)ethynyl-trimethylsilane
CID 10911026
2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene-14,30-dicarbonitrile
CID 3956324
dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane
CID 102398924
14,30-dimethyl-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(28),12(17),13,15,29,31-hexaene
CID 90365748
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773
20-[2-[4,5-bis[2-[4,5-bis[2-(3,5-ditert-butylphenyl)ethynyl]-2-methoxyphenyl]ethynyl]-2-methoxyphenyl]ethynyl]-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 11412314
4,7,10,14,17,20-hexaoxatricyclo[11.7.0.03,11]icosa-1(13),2,11-triene
CID 176853377
ethane;2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 142832225
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 2724802
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane (CID 15831450) is trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane is C[Si](C)(C)C#Cc1ccc2c(c1)OCCOCCOCCOCCO2.
What is the InChIKey of trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane?
The InChIKey is RXCNVQXWGKGBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O5Si/c1-25(2,3)15-6-17-4-5-18-19(16-17)24-14-12-22-10-8-20-7-9-21-11-13-23-18/h4-5,16H,7-14H2,1-3H3.
What are the key properties of trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane?
trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane has a molecular weight of 364.51 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ethynyl]silane is sourced from PubChem (CID 15831450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).