1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione

C20H46F3N3O11Si8 — CID 176847593

IUPAC1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCCn2c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c(=O)n(CCC(F)(F)F)c2=O)O[SiH](C)O1
InChIInChI=1S/C20H46F3N3O11Si8/c1-38-30-40(3)34-44(7,35-41(4)31-38)15-9-12-24-17(27)25(19(29)26(18(24)28)14-11-20(21,22)23)13-10-16-45(8)36-42(5)32-39(2)33-43(6)37-45/h38-43H,9-16H2,1-8H3
InChIKeyZNYVXYDQSLLGQH-UHFFFAOYSA-N
MW786.28 g/mol
LogP0.31
Rot. Bonds10

About 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione

1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 176847593) has the molecular formula C20H46F3N3O11Si8 and a molecular weight of 786.28 g/mol. Its IUPAC name is 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID176847593
Molecular FormulaC20H46F3N3O11Si8
Molecular Weight786.28 g/mol
Exact Mass785.12
IUPAC Name1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione
SMILESC[SiH]1O[SiH](C)O[Si](C)(CCCn2c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c(=O)n(CCC(F)(F)F)c2=O)O[SiH](C)O1
InChIInChI=1S/C20H46F3N3O11Si8/c1-38-30-40(3)34-44(7,35-41(4)31-38)15-9-12-24-17(27)25(19(29)26(18(24)28)14-11-20(21,22)23)13-10-16-45(8)36-42(5)32-39(2)33-43(6)37-45/h38-43H,9-16H2,1-8H3
InChIKeyZNYVXYDQSLLGQH-UHFFFAOYSA-N
XLogP0.31
TPSA139.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.28
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione (CID 176847593) is 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione is C[SiH]1O[SiH](C)O[Si](C)(CCCn2c(=O)n(CCC[Si]3(C)O[SiH](C)O[SiH](C)O[SiH](C)O3)c(=O)n(CCC(F)(F)F)c2=O)O[SiH](C)O1.
What is the InChIKey of 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ZNYVXYDQSLLGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46F3N3O11Si8/c1-38-30-40(3)34-44(7,35-41(4)31-38)15-9-12-24-17(27)25(19(29)26(18(24)28)14-11-20(21,22)23)13-10-16-45(8)36-42(5)32-39(2)33-43(6)37-45/h38-43H,9-16H2,1-8H3.
What are the key properties of 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione?
1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 786.28 g/mol, XLogP of 0.31, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-5-(3,3,3-trifluoropropyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 176847593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).