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

C17H33N3O5Si — CID 172811673

IUPAC1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCCCOC(CC[SiH2]CCCn1c(=O)[nH]c(=O)[nH]c1=O)OCCCC
InChIInChI=1S/C17H33N3O5Si/c1-3-5-10-24-14(25-11-6-4-2)8-13-26-12-7-9-20-16(22)18-15(21)19-17(20)23/h14H,3-13,26H2,1-2H3,(H2,18,19,21,22,23)
InChIKeySGJNYKIWUWPNAT-UHFFFAOYSA-N
MW387.55 g/mol
LogP0.97
Rot. Bonds15

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

1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 172811673) has the molecular formula C17H33N3O5Si and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID172811673
Molecular FormulaC17H33N3O5Si
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC Name1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
SMILESCCCCOC(CC[SiH2]CCCn1c(=O)[nH]c(=O)[nH]c1=O)OCCCC
InChIInChI=1S/C17H33N3O5Si/c1-3-5-10-24-14(25-11-6-4-2)8-13-26-12-7-9-20-16(22)18-15(21)19-17(20)23/h14H,3-13,26H2,1-2H3,(H2,18,19,21,22,23)
InChIKeySGJNYKIWUWPNAT-UHFFFAOYSA-N
XLogP0.97
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 50.97
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-(dibutoxymethylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione
CID 172845365
1-hexyl-1,3,5-triazinane-2,4,6-trione;isocyanic acid
CID 172765496
1,1,4,4-tetrabutoxybutane
CID 139887225
1-(nonoxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 142290124
1,1-dibutoxyoctane
CID 54557001
1-butoxy-1-(1-butoxybutoxy)butane
CID 121333025
1-[5-(oxiran-2-yl)-4-(oxiran-2-ylmethyl)pentyl]-1,3,5-triazinane-2,4,6-trione
CID 87772888
2-bromo-7-(2,4,6-trioxo-1,3,5-triazinan-1-yl)heptanamide
CID 141377585
6-amino-1-butyl-5-[(1-methoxy-3-methylbutan-2-yl)amino]pyrimidine-2,4-dione
CID 65048686
2-(1-hexoxyhexadecoxy)acetic acid
CID 175401569
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
N-[(3R,4S)-3-methylheptan-4-yl]-2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)acetamide
CID 171473510

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione (CID 172811673) is 1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is CCCCOC(CC[SiH2]CCCn1c(=O)[nH]c(=O)[nH]c1=O)OCCCC.
What is the InChIKey of 1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is SGJNYKIWUWPNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O5Si/c1-3-5-10-24-14(25-11-6-4-2)8-13-26-12-7-9-20-16(22)18-15(21)19-17(20)23/h14H,3-13,26H2,1-2H3,(H2,18,19,21,22,23).
What are the key properties of 1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione?
1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 387.55 g/mol, XLogP of 0.97, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dibutoxypropylsilyl)propyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 172811673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).