2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid

C8H18O7S — CID 19077305

IUPAC2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid
SMILESCC(O)OCCOCCOCCS(=O)(=O)O
InChIInChI=1S/C8H18O7S/c1-8(9)15-5-4-13-2-3-14-6-7-16(10,11)12/h8-9H,2-7H2,1H3,(H,10,11,12)
InChIKeyHKSJINJQJMHBGJ-UHFFFAOYSA-N
MW258.29 g/mol
LogP-0.74
Rot. Bonds10

About 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid

2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid (PubChem CID 19077305) has the molecular formula C8H18O7S and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid.

Molecular Properties

Compound Name2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid
PubChem CID19077305
Molecular FormulaC8H18O7S
Molecular Weight258.29 g/mol
Exact Mass258.08
IUPAC Name2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid
SMILESCC(O)OCCOCCOCCS(=O)(=O)O
InChIInChI=1S/C8H18O7S/c1-8(9)15-5-4-13-2-3-14-6-7-16(10,11)12/h8-9H,2-7H2,1H3,(H,10,11,12)
InChIKeyHKSJINJQJMHBGJ-UHFFFAOYSA-N
XLogP-0.74
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 141265881
1-[2-(2-iodoethoxy)ethoxy]ethanol
CID 86587426
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
2-[2-(4-hydroxybutoxy)ethoxy]ethanesulfonic acid
CID 140996292
2-(2-methoxyethoxy)ethanesulfonic acid;prop-1-ene
CID 157374719
2-[2-[2-[2-[2-(chloroamino)-2-methylpropyl]sulfonylethoxy]ethoxy]ethoxy]ethanesulfonic acid
CID 87691639
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethanesulfonic acid
CID 122611081
2-(2-ethylsulfanylethoxy)ethanesulfonic acid
CID 140919026
N-[11-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]undecyl]-3-sulfanylpropanamide
CID 87856363
2-[2-[2-[2-[2-(2-butan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 87748726
4-butan-2-yloxybutane-1-sulfonic acid
CID 90852132
4-[2-[2-(2-hydroxyethoxy)propoxy]ethoxy]butane-1-sulfonic acid
CID 58663428

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid?
The IUPAC name of 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid (CID 19077305) is 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid.
What is the SMILES notation for 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid?
The canonical SMILES for 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid is CC(O)OCCOCCOCCS(=O)(=O)O.
What is the InChIKey of 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid?
The InChIKey is HKSJINJQJMHBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O7S/c1-8(9)15-5-4-13-2-3-14-6-7-16(10,11)12/h8-9H,2-7H2,1H3,(H,10,11,12).
What are the key properties of 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid?
2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid has a molecular weight of 258.29 g/mol, XLogP of -0.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1-hydroxyethoxy)ethoxy]ethoxy]ethanesulfonic acid is sourced from PubChem (CID 19077305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).