1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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

C17H42O15Si8 — CID 23403199

IUPAC1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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
SMILESCOCCC[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(CCCOC)O[Si](C)(O[Si](C)(O3)O[Si](CCCOC)(O4)O1)O2
InChIInChI=1S/C17H42O15Si8/c1-18-12-9-15-38-25-33(4)21-34(5)23-36(7,28-38)30-40(17-11-14-20-3)31-37(8,29-38)24-35(6,22-33)27-39(26-34,32-40)16-10-13-19-2/h9-17H2,1-8H3
InChIKeyLPIUULDGICTPJQ-UHFFFAOYSA-N
MW711.20 g/mol
LogP2.02
Rot. Bonds12

About 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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

1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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 (PubChem CID 23403199) has the molecular formula C17H42O15Si8 and a molecular weight of 711.20 g/mol. Its IUPAC name is 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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.

Molecular Properties

Compound Name1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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
PubChem CID23403199
Molecular FormulaC17H42O15Si8
Molecular Weight711.20 g/mol
Exact Mass710.07
IUPAC Name1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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
SMILESCOCCC[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(CCCOC)O[Si](C)(O[Si](C)(O3)O[Si](CCCOC)(O4)O1)O2
InChIInChI=1S/C17H42O15Si8/c1-18-12-9-15-38-25-33(4)21-34(5)23-36(7,28-38)30-40(17-11-14-20-3)31-37(8,29-38)24-35(6,22-33)27-39(26-34,32-40)16-10-13-19-2/h9-17H2,1-8H3
InChIKeyLPIUULDGICTPJQ-UHFFFAOYSA-N
XLogP2.02
TPSA138.45 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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?
The IUPAC name of 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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 23403199) is 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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.
What is the SMILES notation for 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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?
The canonical SMILES for 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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 is COCCC[Si]12O[Si]3(C)O[Si]4(C)O[Si](C)(O1)O[Si]1(CCCOC)O[Si](C)(O[Si](C)(O3)O[Si](CCCOC)(O4)O1)O2.
What is the InChIKey of 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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?
The InChIKey is LPIUULDGICTPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O15Si8/c1-18-12-9-15-38-25-33(4)21-34(5)23-36(7,28-38)30-40(17-11-14-20-3)31-37(8,29-38)24-35(6,22-33)27-39(26-34,32-40)16-10-13-19-2/h9-17H2,1-8H3.
What are the key properties of 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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?
1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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 has a molecular weight of 711.20 g/mol, XLogP of 2.02, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-tris(3-methoxypropyl)-5,9,11,13,15-pentamethyl-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 is sourced from PubChem (CID 23403199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).