3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one

C27H48N2O4 — CID 91143063

IUPAC3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one
SMILESC=CC(CC)(CCCO)CCCCOCCCCC(C=C)(CC)Cn1c(O)cn(CC)c1=O
InChIInChI=1S/C27H48N2O4/c1-6-26(7-2,18-15-19-30)16-11-13-20-33-21-14-12-17-27(8-3,9-4)23-29-24(31)22-28(10-5)25(29)32/h6,8,22,30-31H,1,3,7,9-21,23H2,2,4-5H3
InChIKeyYZHRGIMRBHJJGD-UHFFFAOYSA-N
MW464.69 g/mol
LogP5.67
Rot. Bonds20

About 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one

3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one (PubChem CID 91143063) has the molecular formula C27H48N2O4 and a molecular weight of 464.69 g/mol. Its IUPAC name is 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one.

Molecular Properties

Compound Name3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one
PubChem CID91143063
Molecular FormulaC27H48N2O4
Molecular Weight464.69 g/mol
Exact Mass464.36
IUPAC Name3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one
SMILESC=CC(CC)(CCCO)CCCCOCCCCC(C=C)(CC)Cn1c(O)cn(CC)c1=O
InChIInChI=1S/C27H48N2O4/c1-6-26(7-2,18-15-19-30)16-11-13-20-33-21-14-12-17-27(8-3,9-4)23-29-24(31)22-28(10-5)25(29)32/h6,8,22,30-31H,1,3,7,9-21,23H2,2,4-5H3
InChIKeyYZHRGIMRBHJJGD-UHFFFAOYSA-N
XLogP5.67
TPSA76.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one with MolForge

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Related Compounds

1-ethyl-4-hydroxy-3-[8-(10-hydroxy-5,5-dimethyldecoxy)-4,4-dimethyloctyl]imidazol-2-one
CID 54283727
3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one
CID 90941065
1-ethyl-3-[3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptan-3-yl]-4-hydroxyimidazol-2-one
CID 54078203
3-[5-(5,5-diethyl-9-hydroxynonoxy)-3-ethylheptan-3-yl]-1-ethyl-4-hydroxyimidazol-2-one
CID 90720146
3-[9-[5-ethenyl-5-ethyl-8-(3-ethyl-2,5-dioxoimidazolidin-1-yl)octoxy]-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59079005
1-ethyl-4-hydroxy-3-[9-(1-hydroxy-5,5-dimethyldecoxy)-5,5-dimethylnonyl]imidazol-2-one
CID 91581682
1-ethyl-3-[4-[3-[4-(3-ethyl-5-hydroxy-2-sulfanylideneimidazol-1-yl)-3,3-dimethylbutoxy]propoxy]-2,2-dimethylbutyl]-4-hydroxyimidazole-2-thione
CID 91210294
3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione
CID 59296357
6-[7-(3-ethenyl-5-hydroxy-2-oxoimidazol-1-yl)-5,5-dimethylheptoxy]-2,2-dimethylhexanoic acid
CID 91373870
7-[5,5-diethyl-9-(3-ethyl-2,5-dioxoimidazolidin-1-yl)nonoxy]-3-ethenyl-3-ethylheptanoic acid
CID 59079043
[7-[5,5-bis(ethenyl)-10-hydroxydecoxy]-3-ethylheptan-3-yl]oxy-methylphosphinic acid
CID 20805195
1-ethyl-3-[2-(2-hydroxyethoxy)ethyl]-5-nitropyrimidine-2,4-dione
CID 63798898

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one?
The IUPAC name of 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one (CID 91143063) is 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one.
What is the SMILES notation for 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one?
The canonical SMILES for 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one is C=CC(CC)(CCCO)CCCCOCCCCC(C=C)(CC)Cn1c(O)cn(CC)c1=O.
What is the InChIKey of 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one?
The InChIKey is YZHRGIMRBHJJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O4/c1-6-26(7-2,18-15-19-30)16-11-13-20-33-21-14-12-17-27(8-3,9-4)23-29-24(31)22-28(10-5)25(29)32/h6,8,22,30-31H,1,3,7,9-21,23H2,2,4-5H3.
What are the key properties of 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one?
3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one has a molecular weight of 464.69 g/mol, XLogP of 5.67, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one is sourced from PubChem (CID 91143063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).