octane-1,8-disulfonic acid

C8H18O6S2 — CID 18172926

IUPACoctane-1,8-disulfonic acid
SMILESO=S(=O)(O)CCCCCCCCS(=O)(=O)O
InChIInChI=1S/C8H18O6S2/c9-15(10,11)7-5-3-1-2-4-6-8-16(12,13)14/h1-8H2,(H,9,10,11)(H,12,13,14)
InChIKeyVSYYDIKSLHPSDQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.10
Rot. Bonds9

About octane-1,8-disulfonic acid

octane-1,8-disulfonic acid (PubChem CID 18172926) has the molecular formula C8H18O6S2 and a molecular weight of 274.36 g/mol. Its IUPAC name is octane-1,8-disulfonic acid.

Molecular Properties

Compound Nameoctane-1,8-disulfonic acid
PubChem CID18172926
Molecular FormulaC8H18O6S2
Molecular Weight274.36 g/mol
Exact Mass274.05
IUPAC Nameoctane-1,8-disulfonic acid
SMILESO=S(=O)(O)CCCCCCCCS(=O)(=O)O
InChIInChI=1S/C8H18O6S2/c9-15(10,11)7-5-3-1-2-4-6-8-16(12,13)14/h1-8H2,(H,9,10,11)(H,12,13,14)
InChIKeyVSYYDIKSLHPSDQ-UHFFFAOYSA-N
XLogP1.10
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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sodium;hydride;octadecane-1,18-disulfonic acid
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strontium;hexane-1,6-disulfonic acid;hydride
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butane-1,4-disulfonic acid;ethene
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18-hydroxyoctadecane-1-sulfonic acid
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16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
14-bromotetradecane-1-sulfonic acid
CID 176903761
12-fluorododecane-1-sulfonic acid
CID 122480998
decane-1-sulfonic acid
CID 157391186
CID 88853027
CID 88853027
CID 87263567
CID 87263567

Frequently Asked Questions

What is the IUPAC name of octane-1,8-disulfonic acid?
The IUPAC name of octane-1,8-disulfonic acid (CID 18172926) is octane-1,8-disulfonic acid.
What is the SMILES notation for octane-1,8-disulfonic acid?
The canonical SMILES for octane-1,8-disulfonic acid is O=S(=O)(O)CCCCCCCCS(=O)(=O)O.
What is the InChIKey of octane-1,8-disulfonic acid?
The InChIKey is VSYYDIKSLHPSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O6S2/c9-15(10,11)7-5-3-1-2-4-6-8-16(12,13)14/h1-8H2,(H,9,10,11)(H,12,13,14).
What are the key properties of octane-1,8-disulfonic acid?
octane-1,8-disulfonic acid has a molecular weight of 274.36 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,8-disulfonic acid is sourced from PubChem (CID 18172926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).