2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol

C16H26O13Si8 — CID 15423899

IUPAC2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol
SMILESC=C[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si](C=C)(O1)O[Si]1(C=C)O[Si](C=C)(O2)O[Si](C=C)(O3)O[Si](CCO)(O4)O1
InChIInChI=1S/C16H26O13Si8/c1-8-30-18-31(9-2)21-34(12-5)23-32(10-3,19-30)25-36(14-7)26-33(11-4,20-30)24-35(13-6,22-31)28-37(27-34,29-36)16-15-17/h8-14,17H,1-7,15-16H2
InChIKeyUGSZZPXPSAWKQT-UHFFFAOYSA-N
MW651.06 g/mol
LogP0.83
Rot. Bonds9

About 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol

2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol (PubChem CID 15423899) has the molecular formula C16H26O13Si8 and a molecular weight of 651.06 g/mol. Its IUPAC name is 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol.

Molecular Properties

Compound Name2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol
PubChem CID15423899
Molecular FormulaC16H26O13Si8
Molecular Weight651.06 g/mol
Exact Mass649.95
IUPAC Name2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol
SMILESC=C[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si](C=C)(O1)O[Si]1(C=C)O[Si](C=C)(O2)O[Si](C=C)(O3)O[Si](CCO)(O4)O1
InChIInChI=1S/C16H26O13Si8/c1-8-30-18-31(9-2)21-34(12-5)23-32(10-3,19-30)25-36(14-7)26-33(11-4,20-30)24-35(13-6,22-31)28-37(27-34,29-36)16-15-17/h8-14,17H,1-7,15-16H2
InChIKeyUGSZZPXPSAWKQT-UHFFFAOYSA-N
XLogP0.83
TPSA130.99 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.06
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol with MolForge

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Related Compounds

1-ethenyl-3,5,7,9,11,13,15-heptaethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 636148
1,3,5,15-tetrakis(ethenyl)-7,9,11,13-tetramethyl-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosane
CID 635965
buta-1,3-diene;bis(ethane-1,2-diol)
CID 87919637
2,2,4,4-tetrakis(ethenyl)-6,6-bis(3-methylbut-2-en-2-yl)-1,3,5,2,4,6-trioxatrisilinane
CID 175565406
ethane-1,2-diol;ethenamine
CID 87086084
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866
but-3-en-1-ol;silane
CID 174710612
ethane-1,2-diol;prop-2-en-1-amine
CID 87098276
2-aminoethanol;prop-2-enamide
CID 160789080
2-[3,5,7,9,11,13,15-heptakis[2-[hydroxy(dimethyl)silyl]ethyl]-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethyl-hydroxy-dimethylsilane
CID 15448159
prop-2-en-1-ol;stannane
CID 173011847
tris(prop-2-en-1-ol);titanium
CID 177430302

Frequently Asked Questions

What is the IUPAC name of 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol?
The IUPAC name of 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol (CID 15423899) is 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol.
What is the SMILES notation for 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol?
The canonical SMILES for 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol is C=C[Si]12O[Si]3(C=C)O[Si]4(C=C)O[Si](C=C)(O1)O[Si]1(C=C)O[Si](C=C)(O2)O[Si](C=C)(O3)O[Si](CCO)(O4)O1.
What is the InChIKey of 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol?
The InChIKey is UGSZZPXPSAWKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O13Si8/c1-8-30-18-31(9-2)21-34(12-5)23-32(10-3,19-30)25-36(14-7)26-33(11-4,20-30)24-35(13-6,22-31)28-37(27-34,29-36)16-15-17/h8-14,17H,1-7,15-16H2.
What are the key properties of 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol?
2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol has a molecular weight of 651.06 g/mol, XLogP of 0.83, 9 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5,7,9,11,13,15-heptakis(ethenyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]ethanol is sourced from PubChem (CID 15423899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).