ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate

C8H22O7S — CID 87749122

IUPACethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate
SMILESCCOCC.CCOS(=O)(=O)O.OCCO
InChIInChI=1S/C4H10O.C2H6O4S.C2H6O2/c1-3-5-4-2;1-2-6-7(3,4)5;3-1-2-4/h3-4H2,1-2H3;2H2,1H3,(H,3,4,5);3-4H,1-2H2
InChIKeyYYDOZMIPBPQFQM-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.16
Rot. Bonds5

About ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate

ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate (PubChem CID 87749122) has the molecular formula C8H22O7S and a molecular weight of 262.32 g/mol. Its IUPAC name is ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate.

Molecular Properties

Compound Nameethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate
PubChem CID87749122
Molecular FormulaC8H22O7S
Molecular Weight262.32 g/mol
Exact Mass262.11
IUPAC Nameethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate
SMILESCCOCC.CCOS(=O)(=O)O.OCCO
InChIInChI=1S/C4H10O.C2H6O4S.C2H6O2/c1-3-5-4-2;1-2-6-7(3,4)5;3-1-2-4/h3-4H2,1-2H3;2H2,1H3,(H,3,4,5);3-4H,1-2H2
InChIKeyYYDOZMIPBPQFQM-UHFFFAOYSA-N
XLogP-0.16
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl hydrogen sulfate
CID 6004
ethane-1,2-diol;ethene;ethoxyethane;methyl hydrogen sulfate
CID 173151117
dodecyl hydrogen sulfate;ethane-1,2-diol;ethoxyethane
CID 88692322
ethane-1,2-diol;ethene;ethoxyethane;2-methylpropyl hydrogen sulfate
CID 173150876
sodium;ethyl hydrogen sulfate;hydride;sulfuric acid
CID 174986471
CID 173432224
CID 173432224
CID 175068530
CID 175068530
ethyl hydrogen sulfate;sulfur dioxide
CID 87878952
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151121
ethane-1,2-diol;ethene;ethoxyethane;nonyl hydrogen sulfate
CID 173151116
ethane-1,2-diol;ethene;ethoxyethane;3-methylbutyl hydrogen sulfate
CID 173151092
ethane-1,2-diol;ethene;ethoxyethane;hexyl hydrogen sulfate
CID 173151171

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate?
The IUPAC name of ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate (CID 87749122) is ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate.
What is the SMILES notation for ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate?
The canonical SMILES for ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate is CCOCC.CCOS(=O)(=O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate?
The InChIKey is YYDOZMIPBPQFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6O4S.C2H6O2/c1-3-5-4-2;1-2-6-7(3,4)5;3-1-2-4/h3-4H2,1-2H3;2H2,1H3,(H,3,4,5);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate?
ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate has a molecular weight of 262.32 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethoxyethane;ethyl hydrogen sulfate is sourced from PubChem (CID 87749122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).