3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one

C28H52N2O4 — CID 90941065

IUPAC3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one
SMILESC=CC(CC)(CCCCOCCCCC(CC)(CC)CCCCCO)n1c(O)cn(CC)c1=O
InChIInChI=1S/C28H52N2O4/c1-6-27(7-2,18-12-11-15-21-31)19-13-16-22-34-23-17-14-20-28(8-3,9-4)30-25(32)24-29(10-5)26(30)33/h8,24,31-32H,3,6-7,9-23H2,1-2,4-5H3
InChIKeyHQIYGOHMWWGXLP-UHFFFAOYSA-N
MW480.73 g/mol
LogP6.38
Rot. Bonds21

About 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one

3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one (PubChem CID 90941065) has the molecular formula C28H52N2O4 and a molecular weight of 480.73 g/mol. Its IUPAC name is 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one.

Molecular Properties

Compound Name3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one
PubChem CID90941065
Molecular FormulaC28H52N2O4
Molecular Weight480.73 g/mol
Exact Mass480.39
IUPAC Name3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one
SMILESC=CC(CC)(CCCCOCCCCC(CC)(CC)CCCCCO)n1c(O)cn(CC)c1=O
InChIInChI=1S/C28H52N2O4/c1-6-27(7-2,18-12-11-15-21-31)19-13-16-22-34-23-17-14-20-28(8-3,9-4)30-25(32)24-29(10-5)26(30)33/h8,24,31-32H,3,6-7,9-23H2,1-2,4-5H3
InChIKeyHQIYGOHMWWGXLP-UHFFFAOYSA-N
XLogP6.38
TPSA76.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.73
LogP ≤ 56.38
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-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one with MolForge

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Related Compounds

1-ethyl-3-[3-ethyl-7-[5-ethyl-5-(hydroxymethyl)heptoxy]heptan-3-yl]-4-hydroxyimidazol-2-one
CID 54078203
3-[2-ethenyl-6-(5-ethenyl-5-ethyl-8-hydroxyoctoxy)-2-ethylhexyl]-1-ethyl-4-hydroxyimidazol-2-one
CID 91143063
3-[5-(5,5-diethyl-9-hydroxynonoxy)-3-ethylheptan-3-yl]-1-ethyl-4-hydroxyimidazol-2-one
CID 90720146
1-ethyl-4-hydroxy-3-[8-(10-hydroxy-5,5-dimethyldecoxy)-4,4-dimethyloctyl]imidazol-2-one
CID 54283727
10-(5,5-diethyl-10-hydroxydecoxy)-6,6-diethyldecanoic acid
CID 22606693
3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione
CID 59296357
8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
CID 23390845
[7-(5,5-diethyl-9-hydroxynonoxy)-3-ethylheptan-3-yl]oxy-methylphosphinic acid
CID 20805256
6-[5-(3-ethenyl-5-hydroxy-2-oxoimidazol-1-yl)-5-methylhexoxy]-2,2-dimethylhexanoic acid
CID 91416127
[7-[5,5-bis(ethenyl)-10-hydroxydecoxy]-3-ethylheptan-3-yl]oxy-methylphosphinic acid
CID 20805195
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
7-[5,5-diethyl-9-(3-ethyl-2,5-dioxoimidazolidin-1-yl)nonoxy]-3-ethenyl-3-ethylheptanoic acid
CID 59079043

Frequently Asked Questions

What is the IUPAC name of 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one?
The IUPAC name of 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one (CID 90941065) is 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one.
What is the SMILES notation for 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one?
The canonical SMILES for 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one is C=CC(CC)(CCCCOCCCCC(CC)(CC)CCCCCO)n1c(O)cn(CC)c1=O.
What is the InChIKey of 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one?
The InChIKey is HQIYGOHMWWGXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52N2O4/c1-6-27(7-2,18-12-11-15-21-31)19-13-16-22-34-23-17-14-20-28(8-3,9-4)30-25(32)24-29(10-5)26(30)33/h8,24,31-32H,3,6-7,9-23H2,1-2,4-5H3.
What are the key properties of 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one?
3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one has a molecular weight of 480.73 g/mol, XLogP of 6.38, 21 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(5,5-diethyl-10-hydroxydecoxy)-3-ethylhept-1-en-3-yl]-1-ethyl-4-hydroxyimidazol-2-one is sourced from PubChem (CID 90941065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).