ethane-1,2-diol;ethenol;sulfuric acid

C4H12O7S — CID 87139744

IUPACethane-1,2-diol;ethenol;sulfuric acid
SMILESC=CO.O=S(=O)(O)O.OCCO
InChIInChI=1S/C2H6O2.C2H4O.H2O4S/c3-1-2-4;1-2-3;1-5(2,3)4/h3-4H,1-2H2;2-3H,1H2;(H2,1,2,3,4)
InChIKeyUUFBTYCSGJWBLX-UHFFFAOYSA-N
MW204.20 g/mol
LogP-0.99
Rot. Bonds1

About ethane-1,2-diol;ethenol;sulfuric acid

ethane-1,2-diol;ethenol;sulfuric acid (PubChem CID 87139744) has the molecular formula C4H12O7S and a molecular weight of 204.20 g/mol. Its IUPAC name is ethane-1,2-diol;ethenol;sulfuric acid.

Molecular Properties

Compound Nameethane-1,2-diol;ethenol;sulfuric acid
PubChem CID87139744
Molecular FormulaC4H12O7S
Molecular Weight204.20 g/mol
Exact Mass204.03
IUPAC Nameethane-1,2-diol;ethenol;sulfuric acid
SMILESC=CO.O=S(=O)(O)O.OCCO
InChIInChI=1S/C2H6O2.C2H4O.H2O4S/c3-1-2-4;1-2-3;1-5(2,3)4/h3-4H,1-2H2;2-3H,1H2;(H2,1,2,3,4)
InChIKeyUUFBTYCSGJWBLX-UHFFFAOYSA-N
XLogP-0.99
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 87108061
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CID 174528992
2-prop-2-enylsulfonylsulfonylethanol;sulfuric acid
CID 174757300
buta-1,3-diene;bis(ethane-1,2-diol)
CID 87919637
2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol;sulfuric acid
CID 88726836
propan-1-ol;sulfuric acid
CID 18757021
ethene;sulfuric acid
CID 88750210
methane;3-prop-2-enoxyprop-1-ene;sulfuric acid
CID 87964358
ethane-1,2-diol;ethenamine
CID 87086084
dilithium;ethane-1,2-diol;sulfate
CID 162076441
dodecakis(ethane-1,2-diol);tridecakis(prop-2-enoic acid)
CID 173073218

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethenol;sulfuric acid?
The IUPAC name of ethane-1,2-diol;ethenol;sulfuric acid (CID 87139744) is ethane-1,2-diol;ethenol;sulfuric acid.
What is the SMILES notation for ethane-1,2-diol;ethenol;sulfuric acid?
The canonical SMILES for ethane-1,2-diol;ethenol;sulfuric acid is C=CO.O=S(=O)(O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;ethenol;sulfuric acid?
The InChIKey is UUFBTYCSGJWBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.C2H4O.H2O4S/c3-1-2-4;1-2-3;1-5(2,3)4/h3-4H,1-2H2;2-3H,1H2;(H2,1,2,3,4).
What are the key properties of ethane-1,2-diol;ethenol;sulfuric acid?
ethane-1,2-diol;ethenol;sulfuric acid has a molecular weight of 204.20 g/mol, XLogP of -0.99, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethenol;sulfuric acid is sourced from PubChem (CID 87139744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).