5-ethoxypentane-1-sulfonic acid

C7H16O4S — CID 56995541

IUPAC5-ethoxypentane-1-sulfonic acid
SMILESCCOCCCCCS(=O)(=O)O
InChIInChI=1S/C7H16O4S/c1-2-11-6-4-3-5-7-12(8,9)10/h2-7H2,1H3,(H,8,9,10)
InChIKeyGZFRTLUYNVJBNR-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.08
Rot. Bonds7

About 5-ethoxypentane-1-sulfonic acid

5-ethoxypentane-1-sulfonic acid (PubChem CID 56995541) has the molecular formula C7H16O4S and a molecular weight of 196.27 g/mol. Its IUPAC name is 5-ethoxypentane-1-sulfonic acid.

Molecular Properties

Compound Name5-ethoxypentane-1-sulfonic acid
PubChem CID56995541
Molecular FormulaC7H16O4S
Molecular Weight196.27 g/mol
Exact Mass196.08
IUPAC Name5-ethoxypentane-1-sulfonic acid
SMILESCCOCCCCCS(=O)(=O)O
InChIInChI=1S/C7H16O4S/c1-2-11-6-4-3-5-7-12(8,9)10/h2-7H2,1H3,(H,8,9,10)
InChIKeyGZFRTLUYNVJBNR-UHFFFAOYSA-N
XLogP1.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

6-(3-ethoxypropylamino)hexane-1-sulfonic acid
CID 151406312
3-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propane-1-sulfonic acid
CID 59638865
2-(3-ethoxypropylsulfanyl)ethanesulfonic acid
CID 118248625
octane-1,8-disulfonic acid
CID 18172926
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-docosoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanesulfonic acid
CID 175793636
sodium 4-ethoxybutane-1-sulfonate
CID 58922096
decane-1-sulfonic acid
CID 157391186
10-nonoxydec-7-ene-1-sulfonic acid
CID 74380555
decane-1-sulfonic acid;decyl hydrogen sulfate
CID 160659101
dimethyl-(2-nonoxyethyl)-(4-sulfobutyl)azanium
CID 134165235
pentane-1,5-disulfonic acid;hydrate
CID 133062445
4-undec-10-enoxybutane-1-sulfonic acid
CID 151809612

Frequently Asked Questions

What is the IUPAC name of 5-ethoxypentane-1-sulfonic acid?
The IUPAC name of 5-ethoxypentane-1-sulfonic acid (CID 56995541) is 5-ethoxypentane-1-sulfonic acid.
What is the SMILES notation for 5-ethoxypentane-1-sulfonic acid?
The canonical SMILES for 5-ethoxypentane-1-sulfonic acid is CCOCCCCCS(=O)(=O)O.
What is the InChIKey of 5-ethoxypentane-1-sulfonic acid?
The InChIKey is GZFRTLUYNVJBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4S/c1-2-11-6-4-3-5-7-12(8,9)10/h2-7H2,1H3,(H,8,9,10).
What are the key properties of 5-ethoxypentane-1-sulfonic acid?
5-ethoxypentane-1-sulfonic acid has a molecular weight of 196.27 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxypentane-1-sulfonic acid is sourced from PubChem (CID 56995541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).