ethane-1,2-diol;ethene

C22H46O2 — CID 173008703

IUPACethane-1,2-diol;ethene
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.OCCO
InChIInChI=1S/C2H6O2.10C2H4/c3-1-2-4;10*1-2/h3-4H,1-2H2;10*1-2H2
InChIKeyLGZCWVXWYRTVTG-UHFFFAOYSA-N
MW342.61 g/mol
LogP6.99
Rot. Bonds1

About ethane-1,2-diol;ethene

ethane-1,2-diol;ethene (PubChem CID 173008703) has the molecular formula C22H46O2 and a molecular weight of 342.61 g/mol. Its IUPAC name is ethane-1,2-diol;ethene.

Molecular Properties

Compound Nameethane-1,2-diol;ethene
PubChem CID173008703
Molecular FormulaC22H46O2
Molecular Weight342.61 g/mol
Exact Mass342.35
IUPAC Nameethane-1,2-diol;ethene
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.OCCO
InChIInChI=1S/C2H6O2.10C2H4/c3-1-2-4;10*1-2/h3-4H,1-2H2;10*1-2H2
InChIKeyLGZCWVXWYRTVTG-UHFFFAOYSA-N
XLogP6.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.61
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(ethane-1,2-diol);ethene
CID 173372663
ethane-1,2-diol;ethene;methoxymethane
CID 173052211
ethane-1,2-diol;trihydrochloride
CID 172793976
ethane-1,2-diol;tetrahydrochloride
CID 19917613
ethane-1,2-diol;silane
CID 159802659
ethane-1,2-diol;dihydrochloride
CID 88711440
ethane-1,2-diol;palladium(2+)
CID 175783555
ethane-1,2-diol;titanium(4+)
CID 21124602
Ethylene glycol monosodium salt
CID 86592871
ethane-1,2-diol;rhenium
CID 175749522
CID 87524640
CID 87524640
bis(ethane-1,2-diol);ethene;tetrakis(prop-1-ene)
CID 173186866

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethene?
The IUPAC name of ethane-1,2-diol;ethene (CID 173008703) is ethane-1,2-diol;ethene.
What is the SMILES notation for ethane-1,2-diol;ethene?
The canonical SMILES for ethane-1,2-diol;ethene is C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.C=C.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene?
The InChIKey is LGZCWVXWYRTVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.10C2H4/c3-1-2-4;10*1-2/h3-4H,1-2H2;10*1-2H2.
What are the key properties of ethane-1,2-diol;ethene?
ethane-1,2-diol;ethene has a molecular weight of 342.61 g/mol, XLogP of 6.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethene is sourced from PubChem (CID 173008703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).