butane-1,4-disulfonic acid;ethene

C10H22O6S2 — CID 173210763

IUPACbutane-1,4-disulfonic acid;ethene
SMILESC=C.C=C.C=C.O=S(=O)(O)CCCCS(=O)(=O)O
InChIInChI=1S/C4H10O6S2.3C2H4/c5-11(6,7)3-1-2-4-12(8,9)10;3*1-2/h1-4H2,(H,5,6,7)(H,8,9,10);3*1-2H2
InChIKeyXIXSDOVRYBKVSD-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.95
Rot. Bonds5

About butane-1,4-disulfonic acid;ethene

butane-1,4-disulfonic acid;ethene (PubChem CID 173210763) has the molecular formula C10H22O6S2 and a molecular weight of 302.41 g/mol. Its IUPAC name is butane-1,4-disulfonic acid;ethene.

Molecular Properties

Compound Namebutane-1,4-disulfonic acid;ethene
PubChem CID173210763
Molecular FormulaC10H22O6S2
Molecular Weight302.41 g/mol
Exact Mass302.09
IUPAC Namebutane-1,4-disulfonic acid;ethene
SMILESC=C.C=C.C=C.O=S(=O)(O)CCCCS(=O)(=O)O
InChIInChI=1S/C4H10O6S2.3C2H4/c5-11(6,7)3-1-2-4-12(8,9)10;3*1-2/h1-4H2,(H,5,6,7)(H,8,9,10);3*1-2H2
InChIKeyXIXSDOVRYBKVSD-UHFFFAOYSA-N
XLogP1.95
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze butane-1,4-disulfonic acid;ethene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

octane-1,8-disulfonic acid
CID 18172926
pentane-1,5-disulfonic acid;hydrate
CID 133062445
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
sodium;decane-1,10-disulfonic acid;hydride
CID 173097800
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
CID 88853027
CID 88853027
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
decane-1-sulfonic acid
CID 157391186
14-bromotetradecane-1-sulfonic acid
CID 176903761
gold;pentane-1-sulfonic acid
CID 174800543
12-fluorododecane-1-sulfonic acid
CID 122480998

Frequently Asked Questions

What is the IUPAC name of butane-1,4-disulfonic acid;ethene?
The IUPAC name of butane-1,4-disulfonic acid;ethene (CID 173210763) is butane-1,4-disulfonic acid;ethene.
What is the SMILES notation for butane-1,4-disulfonic acid;ethene?
The canonical SMILES for butane-1,4-disulfonic acid;ethene is C=C.C=C.C=C.O=S(=O)(O)CCCCS(=O)(=O)O.
What is the InChIKey of butane-1,4-disulfonic acid;ethene?
The InChIKey is XIXSDOVRYBKVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O6S2.3C2H4/c5-11(6,7)3-1-2-4-12(8,9)10;3*1-2/h1-4H2,(H,5,6,7)(H,8,9,10);3*1-2H2.
What are the key properties of butane-1,4-disulfonic acid;ethene?
butane-1,4-disulfonic acid;ethene has a molecular weight of 302.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-disulfonic acid;ethene is sourced from PubChem (CID 173210763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).