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

C20H49N3O11Si8 — CID 140751787

IUPAC1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCCn1c(=O)n(CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)c(=O)n(CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)c1=O
InChIInChI=1S/C20H49N3O11Si8/c1-10-13-21-18(24)22(14-11-16-41(8)31-37(4)27-35(2)28-38(5)32-41)20(26)23(19(21)25)15-12-17-42(9)33-39(6)29-36(3)30-40(7)34-42/h35-40H,10-17H2,1-9H3
InChIKeyITXOYDOFTNYSKH-UHFFFAOYSA-N
MW732.31 g/mol
LogP-0.23
Rot. Bonds10

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

1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 140751787) has the molecular formula C20H49N3O11Si8 and a molecular weight of 732.31 g/mol. Its IUPAC name is 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID140751787
Molecular FormulaC20H49N3O11Si8
Molecular Weight732.31 g/mol
Exact Mass731.15
IUPAC Name1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCCn1c(=O)n(CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)c(=O)n(CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)c1=O
InChIInChI=1S/C20H49N3O11Si8/c1-10-13-21-18(24)22(14-11-16-41(8)31-37(4)27-35(2)28-38(5)32-41)20(26)23(19(21)25)15-12-17-42(9)33-39(6)29-36(3)30-40(7)34-42/h35-40H,10-17H2,1-9H3
InChIKeyITXOYDOFTNYSKH-UHFFFAOYSA-N
XLogP-0.23
TPSA139.84 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione 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 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 140751787) is 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione is CCCn1c(=O)n(CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)c(=O)n(CCC[Si]2(C)O[SiH](C)O[SiH](C)O[SiH](C)O2)c1=O.
What is the InChIKey of 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is ITXOYDOFTNYSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H49N3O11Si8/c1-10-13-21-18(24)22(14-11-16-41(8)31-37(4)27-35(2)28-38(5)32-41)20(26)23(19(21)25)15-12-17-42(9)33-39(6)29-36(3)30-40(7)34-42/h35-40H,10-17H2,1-9H3.
What are the key properties of 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione?
1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 732.31 g/mol, XLogP of -0.23, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3,5-bis[3-(2,4,6,8-tetramethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 140751787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).