methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol

C18H48O13Si8 — CID 159735415

IUPACmethoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol
SMILESCCOC.CC[Si]12OC[SiH](C)O[Si]3(CC)O[Si]4(CC)O[SiH2]O[Si](CCCO)(O1)O[Si](CC)(O4)O[Si](CC)(O2)O3
InChIInChI=1S/C15H40O12Si8.C3H8O/c1-7-30-17-15-29(6)20-32(9-3)23-31(8-2)18-28-19-35(22-30,14-12-13-16)27-34(11-5,24-31)26-33(10-4,21-30)25-32;1-3-4-2/h16,29H,7-15,28H2,1-6H3;3H2,1-2H3
InChIKeyNBTUSVFHKCTBSL-UHFFFAOYSA-N
MW697.26 g/mol
LogP1.88
Rot. Bonds9

About methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol

methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol (PubChem CID 159735415) has the molecular formula C18H48O13Si8 and a molecular weight of 697.26 g/mol. Its IUPAC name is methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol.

Molecular Properties

Compound Namemethoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol
PubChem CID159735415
Molecular FormulaC18H48O13Si8
Molecular Weight697.26 g/mol
Exact Mass696.12
IUPAC Namemethoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol
SMILESCCOC.CC[Si]12OC[SiH](C)O[Si]3(CC)O[Si]4(CC)O[SiH2]O[Si](CCCO)(O1)O[Si](CC)(O4)O[Si](CC)(O2)O3
InChIInChI=1S/C15H40O12Si8.C3H8O/c1-7-30-17-15-29(6)20-32(9-3)23-31(8-2)18-28-19-35(22-30,14-12-13-16)27-34(11-5,24-31)26-33(10-4,21-30)25-32;1-3-4-2/h16,29H,7-15,28H2,1-6H3;3H2,1-2H3
InChIKeyNBTUSVFHKCTBSL-UHFFFAOYSA-N
XLogP1.88
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol?
The IUPAC name of methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol (CID 159735415) is methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol.
What is the SMILES notation for methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol?
The canonical SMILES for methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol is CCOC.CC[Si]12OC[SiH](C)O[Si]3(CC)O[Si]4(CC)O[SiH2]O[Si](CCCO)(O1)O[Si](CC)(O4)O[Si](CC)(O2)O3.
What is the InChIKey of methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol?
The InChIKey is NBTUSVFHKCTBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H40O12Si8.C3H8O/c1-7-30-17-15-29(6)20-32(9-3)23-31(8-2)18-28-19-35(22-30,14-12-13-16)27-34(11-5,24-31)26-33(10-4,21-30)25-32;1-3-4-2/h16,29H,7-15,28H2,1-6H3;3H2,1-2H3.
What are the key properties of methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol?
methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol has a molecular weight of 697.26 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;3-(1,3,9,11,16-pentaethyl-13-methyl-2,4,6,8,10,12,15,17,18,19,20-undecaoxa-1,3,5,7,9,11,13,16-octasilatetracyclo[9.6.1.13,9.15,16]icosan-5-yl)propan-1-ol is sourced from PubChem (CID 159735415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).