8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide

C25H53NO4S — CID 23390845

IUPAC8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
SMILESCCC(CC)(CCCCO)CCCCOCCCCC(CC)(CC)CCCS(N)(=O)=O
InChIInChI=1S/C25H53NO4S/c1-5-24(6-2,16-9-12-20-27)17-10-13-21-30-22-14-11-18-25(7-3,8-4)19-15-23-31(26,28)29/h27H,5-23H2,1-4H3,(H2,26,28,29)
InChIKeyAKNHBMXSHOIMTF-UHFFFAOYSA-N
MW463.77 g/mol
LogP6.19
Rot. Bonds22

About 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide

8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide (PubChem CID 23390845) has the molecular formula C25H53NO4S and a molecular weight of 463.77 g/mol. Its IUPAC name is 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide.

Molecular Properties

Compound Name8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
PubChem CID23390845
Molecular FormulaC25H53NO4S
Molecular Weight463.77 g/mol
Exact Mass463.37
IUPAC Name8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide
SMILESCCC(CC)(CCCCO)CCCCOCCCCC(CC)(CC)CCCS(N)(=O)=O
InChIInChI=1S/C25H53NO4S/c1-5-24(6-2,16-9-12-20-27)17-10-13-21-30-22-14-11-18-25(7-3,8-4)19-15-23-31(26,28)29/h27H,5-23H2,1-4H3,(H2,26,28,29)
InChIKeyAKNHBMXSHOIMTF-UHFFFAOYSA-N
XLogP6.19
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.77
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4-(hydroxymethyl)hexane-1-sulfonamide
CID 10727803
10-(5,5-diethyl-10-hydroxydecoxy)-6,6-diethyldecanoic acid
CID 22606693
5,5-diethylnonane-1-sulfonamide
CID 57243895
8-(5,5-dimethyl-8-methylsulfonyloctoxy)-4,4-dimethyloctane-1-sulfonamide
CID 20805312
[7-(5,5-diethyl-9-hydroxynonoxy)-3-ethylheptan-3-yl]oxy-methylphosphinic acid
CID 20805256
10-(5,5-dimethyl-8-methylsulfonyloctoxy)-6,6-dimethyldecan-1-ol
CID 20805189
4-hydroxybutane-1-sulfonamide
CID 21436386
9-propoxynonane-1-sulfonamide
CID 105343921
3-[8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctyl]-1-methylimidazolidine-2,4-dione
CID 59296357
3,3-diethylhexane-1,6-diol
CID 87792714
6-(3-methoxy-3-methylbutoxy)hexane-1-sulfonamide
CID 106668491
3,3-diethylpentane-1-sulfonamide
CID 154281864

Frequently Asked Questions

What is the IUPAC name of 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide?
The IUPAC name of 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide (CID 23390845) is 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide.
What is the SMILES notation for 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide?
The canonical SMILES for 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide is CCC(CC)(CCCCO)CCCCOCCCCC(CC)(CC)CCCS(N)(=O)=O.
What is the InChIKey of 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide?
The InChIKey is AKNHBMXSHOIMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53NO4S/c1-5-24(6-2,16-9-12-20-27)17-10-13-21-30-22-14-11-18-25(7-3,8-4)19-15-23-31(26,28)29/h27H,5-23H2,1-4H3,(H2,26,28,29).
What are the key properties of 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide?
8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide has a molecular weight of 463.77 g/mol, XLogP of 6.19, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,5-diethyl-9-hydroxynonoxy)-4,4-diethyloctane-1-sulfonamide is sourced from PubChem (CID 23390845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).