3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione

C13H22N2O2 — CID 59110997

IUPAC3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione
SMILESC=CN1CC(=O)N(CCCCC(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O2/c1-5-14-10-11(16)15(12(14)17)9-7-6-8-13(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyZNATWFFYOHFFFE-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.61
Rot. Bonds5

About 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione

3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione (PubChem CID 59110997) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione
PubChem CID59110997
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione
SMILESC=CN1CC(=O)N(CCCCC(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O2/c1-5-14-10-11(16)15(12(14)17)9-7-6-8-13(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyZNATWFFYOHFFFE-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4-Dimethylpentyl)-1-ethenylimidazolidine-2,4-dione
CID 59110995
1-Ethyl-3-(3-ethyl-3-methylpentyl)imidazolidine-2,4-dione
CID 59110996
3-(2,2-Dimethylpropyl)-1-ethenylimidazolidine-2,4-dione
CID 59110999
1-Ethyl-3-(5-ethyl-5-methylheptyl)imidazolidine-2,4-dione
CID 59111005
3-(3,3-Dimethylbutyl)-1-ethenylimidazolidine-2,4-dione
CID 59111009
1-Ethyl-3-(4-ethyl-4-methylhexyl)imidazolidine-2,4-dione
CID 59111010
1,3-Bis(4,4-dimethylpentyl)imidazolidine-2,4-dione
CID 59602715
3-(4,4-Dimethylpentyl)-1-methylimidazolidine-2,4-dione
CID 146543179
3-(4,4-Dimethyloctyl)-1-ethylimidazolidine-2,4-dione
CID 174435799
1-(6-Amino-5,5-dimethylhexyl)-3-methylimidazolidine-2,4,5-trione
CID 106708357
3-(6-Amino-5,5-dimethylhexyl)-1-methylimidazolidine-2,4-dione
CID 113867847
1-(4,4-Dimethylpentyl)-3-(methoxymethyl)imidazolidine-2,4-dione
CID 163515264

Frequently Asked Questions

What is the IUPAC name of 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione?
The IUPAC name of 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione (CID 59110997) is 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione is C=CN1CC(=O)N(CCCCC(C)(C)C)C1=O.
What is the InChIKey of 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione?
The InChIKey is ZNATWFFYOHFFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-14-10-11(16)15(12(14)17)9-7-6-8-13(2,3)4/h5H,1,6-10H2,2-4H3.
What are the key properties of 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione?
3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione has a molecular weight of 238.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,5-dimethylhexyl)-1-ethenylimidazolidine-2,4-dione is sourced from PubChem (CID 59110997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).