triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate

C21H36O9Si — CID 101395255

IUPACtriethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate
SMILESCCO[Si](OCC)(OCC)OCc1ccc2c(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C21H36O9Si/c1-4-27-31(28-5-2,29-6-3)30-18-19-7-8-20-21(17-19)26-16-14-24-12-10-22-9-11-23-13-15-25-20/h7-8,17H,4-6,9-16,18H2,1-3H3
InChIKeySWIAYGLADRFOHG-UHFFFAOYSA-N
MW460.60 g/mol
LogP2.57
Rot. Bonds9

About triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate

triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate (PubChem CID 101395255) has the molecular formula C21H36O9Si and a molecular weight of 460.60 g/mol. Its IUPAC name is triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate.

Molecular Properties

Compound Nametriethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate
PubChem CID101395255
Molecular FormulaC21H36O9Si
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC Nametriethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate
SMILESCCO[Si](OCC)(OCC)OCc1ccc2c(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C21H36O9Si/c1-4-27-31(28-5-2,29-6-3)30-18-19-7-8-20-21(17-19)26-16-14-24-12-10-22-9-11-23-13-15-25-20/h7-8,17H,4-6,9-16,18H2,1-3H3
InChIKeySWIAYGLADRFOHG-UHFFFAOYSA-N
XLogP2.57
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate with MolForge

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Related Compounds

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
3-O-[[24-[(3-ethoxy-3-oxopropanoyl)oxymethyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]methyl] 1-O-ethyl propanedioate
CID 102302863
14-[[2-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethoxy)phenoxy]methyl]-2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaene
CID 11491620
2,3-dihydro-1,4-benzodioxin-6-yl(triethoxy)silane
CID 71105875
14-octadecyl-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
CID 102066946
17-hexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 12543485
bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl) (E)-but-2-enedioate
CID 12501641
[2-[[2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)acetyl]oxymethyl]-3-triethoxysilylpropyl] 2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)acetate
CID 102242221
dimethyl-bis(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)silane
CID 102398924
2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-ylmethyl N-aminocarbamate
CID 122578654
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
bis(2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-ylmethyl) heptanedioate
CID 102126332

Frequently Asked Questions

What is the IUPAC name of triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate?
The IUPAC name of triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate (CID 101395255) is triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate.
What is the SMILES notation for triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate?
The canonical SMILES for triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate is CCO[Si](OCC)(OCC)OCc1ccc2c(c1)OCCOCCOCCOCCO2.
What is the InChIKey of triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate?
The InChIKey is SWIAYGLADRFOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O9Si/c1-4-27-31(28-5-2,29-6-3)30-18-19-7-8-20-21(17-19)26-16-14-24-12-10-22-9-11-23-13-15-25-20/h7-8,17H,4-6,9-16,18H2,1-3H3.
What are the key properties of triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate?
triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate has a molecular weight of 460.60 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylmethyl silicate is sourced from PubChem (CID 101395255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).