pent-4-ene-1,1-disulfonic acid

C5H10O6S2 — CID 174949738

IUPACpent-4-ene-1,1-disulfonic acid
SMILESC=CCCC(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C5H10O6S2/c1-2-3-4-5(12(6,7)8)13(9,10)11/h2,5H,1,3-4H2,(H,6,7,8)(H,9,10,11)
InChIKeyGFDVXXZFGMELOG-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.05
Rot. Bonds5

About pent-4-ene-1,1-disulfonic acid

pent-4-ene-1,1-disulfonic acid (PubChem CID 174949738) has the molecular formula C5H10O6S2 and a molecular weight of 230.26 g/mol. Its IUPAC name is pent-4-ene-1,1-disulfonic acid.

Molecular Properties

Compound Namepent-4-ene-1,1-disulfonic acid
PubChem CID174949738
Molecular FormulaC5H10O6S2
Molecular Weight230.26 g/mol
Exact Mass229.99
IUPAC Namepent-4-ene-1,1-disulfonic acid
SMILESC=CCCC(S(=O)(=O)O)S(=O)(=O)O
InChIInChI=1S/C5H10O6S2/c1-2-3-4-5(12(6,7)8)13(9,10)11/h2,5H,1,3-4H2,(H,6,7,8)(H,9,10,11)
InChIKeyGFDVXXZFGMELOG-UHFFFAOYSA-N
XLogP0.05
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-prop-2-enoyloxypropane-1,1-disulfonic acid
CID 87960716
(2S)-2-ethenylhex-5-enoic acid
CID 91757260
(2R)-2-ethenylhex-5-enoic acid
CID 91757207
benzene;2-but-3-enylpropanedioic acid
CID 174917168
2-hydroxyethane-1,1-disulfonic acid
CID 18781737
(2R)-1,1-difluorohex-5-ene-2-sulfonamide
CID 161414952
methyl 2-sulfamoylhex-5-enoate
CID 130367736
6-bromo-5-methylsulfonylhept-1-ene
CID 11276859
CID 175356762
CID 175356762
5,5-dibromopent-1-ene
CID 134890321
3-but-3-enylpentanedioate
CID 18461973
pent-1-ene;propane-1-sulfonic acid
CID 158327095

Frequently Asked Questions

What is the IUPAC name of pent-4-ene-1,1-disulfonic acid?
The IUPAC name of pent-4-ene-1,1-disulfonic acid (CID 174949738) is pent-4-ene-1,1-disulfonic acid.
What is the SMILES notation for pent-4-ene-1,1-disulfonic acid?
The canonical SMILES for pent-4-ene-1,1-disulfonic acid is C=CCCC(S(=O)(=O)O)S(=O)(=O)O.
What is the InChIKey of pent-4-ene-1,1-disulfonic acid?
The InChIKey is GFDVXXZFGMELOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O6S2/c1-2-3-4-5(12(6,7)8)13(9,10)11/h2,5H,1,3-4H2,(H,6,7,8)(H,9,10,11).
What are the key properties of pent-4-ene-1,1-disulfonic acid?
pent-4-ene-1,1-disulfonic acid has a molecular weight of 230.26 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ene-1,1-disulfonic acid is sourced from PubChem (CID 174949738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).