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

C26H73FO13Si13 — CID 176847629

IUPAC3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCC[Si](CCCOCCF)(CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)O[SiH](C)O1
InChIInChI=1S/C26H73FO13Si13/c1-41-29-44(4)35-50(10,36-45(5)30-41)20-14-24-53(23-13-18-28-19-17-27,25-15-21-51(11)37-46(6)31-42(2)32-47(7)38-51)26-16-22-52(12)39-48(8)33-43(3)34-49(9)40-52/h41-49H,13-26H2,1-12H3
InChIKeyBHWQKNCSTSKVJZ-UHFFFAOYSA-N
MW977.97 g/mol
LogP4.09
Rot. Bonds18

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

3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane (PubChem CID 176847629) has the molecular formula C26H73FO13Si13 and a molecular weight of 977.97 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane.

Molecular Properties

Compound Name3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane
PubChem CID176847629
Molecular FormulaC26H73FO13Si13
Molecular Weight977.97 g/mol
Exact Mass976.20
IUPAC Name3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCC[Si](CCCOCCF)(CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)O[SiH](C)O1
InChIInChI=1S/C26H73FO13Si13/c1-41-29-44(4)35-50(10,36-45(5)30-41)20-14-24-53(23-13-18-28-19-17-27,25-15-21-51(11)37-46(6)31-42(2)32-47(7)38-51)26-16-22-52(12)39-48(8)33-43(3)34-49(9)40-52/h41-49H,13-26H2,1-12H3
InChIKeyBHWQKNCSTSKVJZ-UHFFFAOYSA-N
XLogP4.09
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.97
LogP ≤ 54.09
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-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane?
The IUPAC name of 3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane (CID 176847629) is 3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane.
What is the SMILES notation for 3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane?
The canonical SMILES for 3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane is C[SiH]1O[SiH](C)O[Si](C)(CCC[Si](CCCOCCF)(CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)O[SiH](C)O1.
What is the InChIKey of 3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane?
The InChIKey is BHWQKNCSTSKVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H73FO13Si13/c1-41-29-44(4)35-50(10,36-45(5)30-41)20-14-24-53(23-13-18-28-19-17-27,25-15-21-51(11)37-46(6)31-42(2)32-47(7)38-51)26-16-22-52(12)39-48(8)33-43(3)34-49(9)40-52/h41-49H,13-26H2,1-12H3.
What are the key properties of 3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane?
3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane has a molecular weight of 977.97 g/mol, XLogP of 4.09, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)propyl-tris[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]silane is sourced from PubChem (CID 176847629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).