3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione

C26H50N2O3 — CID 59296326

IUPAC3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
SMILESCCCC(C)(C)CCCCOCCCCC(C)(C)CCCCN1C(=O)CN(CC)C1=O
InChIInChI=1S/C26H50N2O3/c1-7-15-25(3,4)17-10-13-20-31-21-14-11-18-26(5,6)16-9-12-19-28-23(29)22-27(8-2)24(28)30/h7-22H2,1-6H3
InChIKeyDCUBLTGCQSOPGS-UHFFFAOYSA-N
MW438.70 g/mol
LogP6.65
Rot. Bonds18

About 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione

3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione (PubChem CID 59296326) has the molecular formula C26H50N2O3 and a molecular weight of 438.70 g/mol. Its IUPAC name is 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
PubChem CID59296326
Molecular FormulaC26H50N2O3
Molecular Weight438.70 g/mol
Exact Mass438.38
IUPAC Name3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
SMILESCCCC(C)(C)CCCCOCCCCC(C)(C)CCCCN1C(=O)CN(CC)C1=O
InChIInChI=1S/C26H50N2O3/c1-7-15-25(3,4)17-10-13-20-31-21-14-11-18-26(5,6)16-9-12-19-28-23(29)22-27(8-2)24(28)30/h7-22H2,1-6H3
InChIKeyDCUBLTGCQSOPGS-UHFFFAOYSA-N
XLogP6.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5,5-dimethyl-9-pentoxynonyl)-1-ethylimidazolidine-2,4-dione
CID 59111000
3-[8-(5,5-dimethylheptoxy)-4,4-dimethyloctyl]-1-ethylimidazolidine-2,4-dione
CID 59296310
3-[9-[7-(3-ethenyl-2,5-dioxoimidazolidin-1-yl)-5,5-dimethylheptoxy]-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 22085275
3-[9-(5,5-diethylnonoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296333
3-[9-(5,5-diethyldecoxy)-5,5-diethylnonyl]-1-ethylimidazolidine-2,4-dione
CID 59296276
3-[5-[2-(3,3-dimethylbutoxy)ethoxy]-3,3-dimethylpentyl]-1-ethylimidazolidine-2,4-dione
CID 143079825
6-[5,5-diethyl-7-(3-ethyl-2,5-dioxoimidazolidin-1-yl)heptoxy]-2-ethyl-2-methylhexanoic acid
CID 59296325
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-3-[5-[2-[5-[3-ethyl-2,5-bis(sulfanylidene)imidazolidin-1-yl]-3,3-dimethylpentoxy]ethoxy]-3,3-dimethylpentyl]imidazolidine-2,4-dione
CID 22737193
3-[6-(5,5-dimethylheptoxy)-2-methylhexan-2-yl]-1-ethylimidazolidine-2,4-dione
CID 20805222
7-[5,5-diethyl-9-(3-ethyl-2,5-dioxoimidazolidin-1-yl)nonoxy]-3-ethenyl-3-ethylheptanoic acid
CID 59079043
1-ethyl-3-[6-[6-(3-ethyl-2,5-dihydroxyimidazolidin-1-yl)-5,5-dimethylhexoxy]-2,2-dimethylhexyl]imidazolidine-2,4-dione
CID 69461671

Frequently Asked Questions

What is the IUPAC name of 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione?
The IUPAC name of 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione (CID 59296326) is 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione is CCCC(C)(C)CCCCOCCCCC(C)(C)CCCCN1C(=O)CN(CC)C1=O.
What is the InChIKey of 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione?
The InChIKey is DCUBLTGCQSOPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O3/c1-7-15-25(3,4)17-10-13-20-31-21-14-11-18-26(5,6)16-9-12-19-28-23(29)22-27(8-2)24(28)30/h7-22H2,1-6H3.
What are the key properties of 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione?
3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione has a molecular weight of 438.70 g/mol, XLogP of 6.65, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(5,5-dimethyloctoxy)-5,5-dimethylnonyl]-1-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 59296326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).