5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione

C8H16N2O5Si — CID 69251235

IUPAC5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione
SMILESCCC(N1C(=O)NC(C)(C)C1=O)[Si](O)(O)O
InChIInChI=1S/C8H16N2O5Si/c1-4-5(16(13,14)15)10-6(11)8(2,3)9-7(10)12/h5,13-15H,4H2,1-3H3,(H,9,12)
InChIKeyMYWYAAKRVWVNRL-UHFFFAOYSA-N
MW248.31 g/mol
LogP-1.45
Rot. Bonds3

About 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione

5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione (PubChem CID 69251235) has the molecular formula C8H16N2O5Si and a molecular weight of 248.31 g/mol. Its IUPAC name is 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione
PubChem CID69251235
Molecular FormulaC8H16N2O5Si
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione
SMILESCCC(N1C(=O)NC(C)(C)C1=O)[Si](O)(O)O
InChIInChI=1S/C8H16N2O5Si/c1-4-5(16(13,14)15)10-6(11)8(2,3)9-7(10)12/h5,13-15H,4H2,1-3H3,(H,9,12)
InChIKeyMYWYAAKRVWVNRL-UHFFFAOYSA-N
XLogP-1.45
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[bis(hydroxymethoxy)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 173212284
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108488
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-methylbutanoic acid
CID 82028835
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 11402201
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid;(2R)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
CID 160791628
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 7181981
2-[butan-2-yl-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]amino]acetic acid
CID 60834396
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethylbutyl)acetamide
CID 115612598
3-(bromomethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 12847944
1,3,5-tris[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 5086374
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103770597

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione (CID 69251235) is 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione is CCC(N1C(=O)NC(C)(C)C1=O)[Si](O)(O)O.
What is the InChIKey of 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione?
The InChIKey is MYWYAAKRVWVNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5Si/c1-4-5(16(13,14)15)10-6(11)8(2,3)9-7(10)12/h5,13-15H,4H2,1-3H3,(H,9,12).
What are the key properties of 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione has a molecular weight of 248.31 g/mol, XLogP of -1.45, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(1-trihydroxysilylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 69251235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).