1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione

C15H29N3O5Si — CID 172845365

IUPAC1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCCCOC(OCCCC)[SiH2]CCCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H29N3O5Si/c1-3-5-9-22-15(23-10-6-4-2)24-11-7-8-18-13(20)16-12(19)17-14(18)21/h15H,3-11,24H2,1-2H3,(H2,16,17,19,20,21)
InChIKeyXIPCCIJSCJAYKC-UHFFFAOYSA-N
MW359.50 g/mol
LogP0.12
Rot. Bonds13

About 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione

1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 172845365) has the molecular formula C15H29N3O5Si and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID172845365
Molecular FormulaC15H29N3O5Si
Molecular Weight359.50 g/mol
Exact Mass359.19
IUPAC Name1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCCCOC(OCCCC)[SiH2]CCCn1c(=O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H29N3O5Si/c1-3-5-9-22-15(23-10-6-4-2)24-11-7-8-18-13(20)16-12(19)17-14(18)21/h15H,3-11,24H2,1-2H3,(H2,16,17,19,20,21)
InChIKeyXIPCCIJSCJAYKC-UHFFFAOYSA-N
XLogP0.12
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 172811673
1,3,5-tris[3-(diethoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 154063195
1-hexyl-1,3,5-triazinane-2,4,6-trione;isocyanic acid
CID 172765496
dipropoxymethyl-[3-(dipropoxymethylsilyl)propyl]silane
CID 123262117
1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 142290124
5-(dibutoxymethylsilyl)-2-methylidenepentanoic acid
CID 123867706
1-(1-butoxyethyl)pyrrolidine-2,5-dione
CID 24975057
diethoxymethyl(heptadecyl)silane
CID 154220252
diethoxymethyl(tridecyl)silane
CID 154372881
1-[5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pentyl]-1,3,5-triazinane-2,4,6-trione
CID 87772888
diethoxymethyl-[3-(diethoxymethylsilyl)propyl]silane
CID 123160083
3-(1,4-azasilinan-1-yl)propyl-(diethoxymethyl)silane
CID 3056900

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 172845365) is 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is CCCCOC(OCCCC)[SiH2]CCCn1c(=O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is XIPCCIJSCJAYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5Si/c1-3-5-9-22-15(23-10-6-4-2)24-11-7-8-18-13(20)16-12(19)17-14(18)21/h15H,3-11,24H2,1-2H3,(H2,16,17,19,20,21).
What are the key properties of 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 359.50 g/mol, XLogP of 0.12, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 172845365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).