3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane

C19H59FO13Si13 — CID 176847656

IUPAC3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane
SMILESC[SiH]1O[SiH](C)O[Si](C)(C[Si](CCCOCF)(C[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)C[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)O[SiH](C)O1
InChIInChI=1S/C19H59FO13Si13/c1-34-22-37(4)28-43(10,29-38(5)23-34)17-46(15-13-14-21-16-20,18-44(11)30-39(6)24-35(2)25-40(7)31-44)19-45(12)32-41(8)26-36(3)27-42(9)33-45/h34-42H,13-19H2,1-12H3
InChIKeyIMYRUXODQFTPML-UHFFFAOYSA-N
MW879.78 g/mol
LogP1.50
Rot. Bonds11

About 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane

3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane (PubChem CID 176847656) has the molecular formula C19H59FO13Si13 and a molecular weight of 879.78 g/mol. Its IUPAC name is 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane.

Molecular Properties

Compound Name3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane
PubChem CID176847656
Molecular FormulaC19H59FO13Si13
Molecular Weight879.78 g/mol
Exact Mass878.09
IUPAC Name3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane
SMILESC[SiH]1O[SiH](C)O[Si](C)(C[Si](CCCOCF)(C[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)C[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)O[SiH](C)O1
InChIInChI=1S/C19H59FO13Si13/c1-34-22-37(4)28-43(10,29-38(5)23-34)17-46(15-13-14-21-16-20,18-44(11)30-39(6)24-35(2)25-40(7)31-44)19-45(12)32-41(8)26-36(3)27-42(9)33-45/h34-42H,13-19H2,1-12H3
InChIKeyIMYRUXODQFTPML-UHFFFAOYSA-N
XLogP1.50
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.78
LogP ≤ 51.50
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane?
The IUPAC name of 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane (CID 176847656) is 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane.
What is the SMILES notation for 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane?
The canonical SMILES for 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane is C[SiH]1O[SiH](C)O[Si](C)(C[Si](CCCOCF)(C[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)C[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)O[SiH](C)O1.
What is the InChIKey of 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane?
The InChIKey is IMYRUXODQFTPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H59FO13Si13/c1-34-22-37(4)28-43(10,29-38(5)23-34)17-46(15-13-14-21-16-20,18-44(11)30-39(6)24-35(2)25-40(7)31-44)19-45(12)32-41(8)26-36(3)27-42(9)33-45/h34-42H,13-19H2,1-12H3.
What are the key properties of 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane?
3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane has a molecular weight of 879.78 g/mol, XLogP of 1.50, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethoxy)propyl-tris[(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]silane is sourced from PubChem (CID 176847656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).