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

C26H63FO13Si6 — CID 155621762

IUPAC3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
SMILESCOCCOCCC[Si]1(C)O[Si](C)(CCCOCF)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1
InChIInChI=1S/C26H63FO13Si6/c1-28-18-19-35-16-12-20-41(8)37-42(9,21-13-17-36-26-27)39-44(11,23-15-25-46(32-5,33-6)34-7)40-43(10,38-41)22-14-24-45(29-2,30-3)31-4/h12-26H2,1-11H3
InChIKeyZSNPZQFFUVBDTN-UHFFFAOYSA-N
MW771.29 g/mol
LogP5.28
Rot. Bonds26

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

3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (PubChem CID 155621762) has the molecular formula C26H63FO13Si6 and a molecular weight of 771.29 g/mol. Its IUPAC name is 3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.

Molecular Properties

Compound Name3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
PubChem CID155621762
Molecular FormulaC26H63FO13Si6
Molecular Weight771.29 g/mol
Exact Mass770.29
IUPAC Name3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane
SMILESCOCCOCCC[Si]1(C)O[Si](C)(CCCOCF)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1
InChIInChI=1S/C26H63FO13Si6/c1-28-18-19-35-16-12-20-41(8)37-42(9,21-13-17-36-26-27)39-44(11,23-15-25-46(32-5,33-6)34-7)40-43(10,38-41)22-14-24-45(29-2,30-3)31-4/h12-26H2,1-11H3
InChIKeyZSNPZQFFUVBDTN-UHFFFAOYSA-N
XLogP5.28
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500771.29
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(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-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The IUPAC name of 3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane (CID 155621762) is 3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane.
What is the SMILES notation for 3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The canonical SMILES for 3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is COCCOCCC[Si]1(C)O[Si](C)(CCCOCF)O[Si](C)(CCC[Si](OC)(OC)OC)O[Si](C)(CCC[Si](OC)(OC)OC)O1.
What is the InChIKey of 3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
The InChIKey is ZSNPZQFFUVBDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H63FO13Si6/c1-28-18-19-35-16-12-20-41(8)37-42(9,21-13-17-36-26-27)39-44(11,23-15-25-46(32-5,33-6)34-7)40-43(10,38-41)22-14-24-45(29-2,30-3)31-4/h12-26H2,1-11H3.
What are the key properties of 3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane?
3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane has a molecular weight of 771.29 g/mol, XLogP of 5.28, 26 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(fluoromethoxy)propyl]-6-[3-(2-methoxyethoxy)propyl]-2,4,6,8-tetramethyl-8-(3-trimethoxysilylpropyl)-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl]propyl-trimethoxysilane is sourced from PubChem (CID 155621762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).