1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

C21H41N3O7Si2 — CID 162097629

IUPAC1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CCC[Si](C)(OC)OCC)c(=O)n(CCC[Si](C)(OCC)OCC)c1=O
InChIInChI=1S/C21H41N3O7Si2/c1-8-14-22-19(25)23(15-12-17-32(6,28-5)29-9-2)21(27)24(20(22)26)16-13-18-33(7,30-10-3)31-11-4/h8H,1,9-18H2,2-7H3
InChIKeyGHNYNTRUKXJCGY-UHFFFAOYSA-N
MW503.75 g/mol
LogP2.04
Rot. Bonds17

About 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione

1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (PubChem CID 162097629) has the molecular formula C21H41N3O7Si2 and a molecular weight of 503.75 g/mol. Its IUPAC name is 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
PubChem CID162097629
Molecular FormulaC21H41N3O7Si2
Molecular Weight503.75 g/mol
Exact Mass503.25
IUPAC Name1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CCC[Si](C)(OC)OCC)c(=O)n(CCC[Si](C)(OCC)OCC)c1=O
InChIInChI=1S/C21H41N3O7Si2/c1-8-14-22-19(25)23(15-12-17-32(6,28-5)29-9-2)21(27)24(20(22)26)16-13-18-33(7,30-10-3)31-11-4/h8H,1,9-18H2,2-7H3
InChIKeyGHNYNTRUKXJCGY-UHFFFAOYSA-N
XLogP2.04
TPSA102.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.75
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione (CID 162097629) is 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CCC[Si](C)(OC)OCC)c(=O)n(CCC[Si](C)(OCC)OCC)c1=O.
What is the InChIKey of 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
The InChIKey is GHNYNTRUKXJCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3O7Si2/c1-8-14-22-19(25)23(15-12-17-32(6,28-5)29-9-2)21(27)24(20(22)26)16-13-18-33(7,30-10-3)31-11-4/h8H,1,9-18H2,2-7H3.
What are the key properties of 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione?
1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione has a molecular weight of 503.75 g/mol, XLogP of 2.04, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[diethoxy(methyl)silyl]propyl]-3-[3-(ethoxy-methoxy-methylsilyl)propyl]-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 162097629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).