3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane

C28H68F2O14Si7 — CID 140691894

IUPAC3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
SMILESCO[Si](CCC[Si]1(C)O[Si](C)(CCCOCC(C)(F)F)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1)(OC)OC
InChIInChI=1S/C28H68F2O14Si7/c1-28(29,30)27-40-19-15-20-45(11)41-46(12,21-16-24-49(31-2,32-3)33-4)43-48(14,23-18-26-51(37-8,38-9)39-10)44-47(13,42-45)22-17-25-50(34-5,35-6)36-7/h15-27H2,1-14H3
InChIKeyZBTQNBNZKFNYOS-UHFFFAOYSA-N
MW863.44 g/mol
LogP6.22
Rot. Bonds27

About 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane

3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (PubChem CID 140691894) has the molecular formula C28H68F2O14Si7 and a molecular weight of 863.44 g/mol. Its IUPAC name is 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
PubChem CID140691894
Molecular FormulaC28H68F2O14Si7
Molecular Weight863.44 g/mol
Exact Mass862.30
IUPAC Name3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
SMILESCO[Si](CCC[Si]1(C)O[Si](C)(CCCOCC(C)(F)F)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1)(OC)OC
InChIInChI=1S/C28H68F2O14Si7/c1-28(29,30)27-40-19-15-20-45(11)41-46(12,21-16-24-49(31-2,32-3)33-4)43-48(14,23-18-26-51(37-8,38-9)39-10)44-47(13,42-45)22-17-25-50(34-5,35-6)36-7/h15-27H2,1-14H3
InChIKeyZBTQNBNZKFNYOS-UHFFFAOYSA-N
XLogP6.22
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.44
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The IUPAC name of 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (CID 140691894) is 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.
What is the SMILES notation for 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The canonical SMILES for 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is CO[Si](CCC[Si]1(C)O[Si](C)(CCCOCC(C)(F)F)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1)(OC)OC.
What is the InChIKey of 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The InChIKey is ZBTQNBNZKFNYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H68F2O14Si7/c1-28(29,30)27-40-19-15-20-45(11)41-46(12,21-16-24-49(31-2,32-3)33-4)43-48(14,23-18-26-51(37-8,38-9)39-10)44-47(13,42-45)22-17-25-50(34-5,35-6)36-7/h15-27H2,1-14H3.
What are the key properties of 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane has a molecular weight of 863.44 g/mol, XLogP of 6.22, 27 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(2,2-difluoropropoxy)propyl]-2,4,6,8-tetramethyl-6,8-bis(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is sourced from PubChem (CID 140691894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).