ethane-1,2-diol;ethene;ethoxyethane

C20H44O3 — CID 173171004

IUPACethane-1,2-diol;ethene;ethoxyethane
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.CCOCC.OCCO
InChIInChI=1S/C4H10O.C2H6O2.7C2H4/c1-3-5-4-2;3-1-2-4;7*1-2/h3-4H2,1-2H3;3-4H,1-2H2;7*1-2H2
InChIKeyLUGOEISOFQSNAI-UHFFFAOYSA-N
MW332.57 g/mol
LogP5.63
Rot. Bonds3

About ethane-1,2-diol;ethene;ethoxyethane

ethane-1,2-diol;ethene;ethoxyethane (PubChem CID 173171004) has the molecular formula C20H44O3 and a molecular weight of 332.57 g/mol. Its IUPAC name is ethane-1,2-diol;ethene;ethoxyethane.

Molecular Properties

Compound Nameethane-1,2-diol;ethene;ethoxyethane
PubChem CID173171004
Molecular FormulaC20H44O3
Molecular Weight332.57 g/mol
Exact Mass332.33
IUPAC Nameethane-1,2-diol;ethene;ethoxyethane
SMILESC=C.C=C.C=C.C=C.C=C.C=C.C=C.CCOCC.OCCO
InChIInChI=1S/C4H10O.C2H6O2.7C2H4/c1-3-5-4-2;3-1-2-4;7*1-2/h3-4H2,1-2H3;3-4H,1-2H2;7*1-2H2
InChIKeyLUGOEISOFQSNAI-UHFFFAOYSA-N
XLogP5.63
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.57
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethene;ethoxyethane
CID 173009607
tris(ethane-1,2-diol);ethoxyethane
CID 173395808
ethanol;ethene;ethoxyethane
CID 139434375
bis(ethane-1,2-diol);ethoxyethane;bis(prop-1-ene)
CID 173332144
ethane-1,2-diol;ethoxyethane;prop-1-ene
CID 87195266
ethane-1,2-diol;ethene;ethoxyethane;methyl hydrogen sulfate
CID 173151117
ethoxyethane
CID 18694919
ethene;ethoxyethane;propane-1,2,3-triol
CID 175604440
ethoxyethane
CID 19002445
ethene;ethoxyethane;propane-1,2-diol
CID 87065647
ethoxyethane;2-methylprop-1-ene
CID 19913928
ethane-1,2-diol;ethoxyethane;2-methylprop-2-enamide
CID 135223256

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethene;ethoxyethane?
The IUPAC name of ethane-1,2-diol;ethene;ethoxyethane (CID 173171004) is ethane-1,2-diol;ethene;ethoxyethane.
What is the SMILES notation for ethane-1,2-diol;ethene;ethoxyethane?
The canonical SMILES for ethane-1,2-diol;ethene;ethoxyethane is C=C.C=C.C=C.C=C.C=C.C=C.C=C.CCOCC.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene;ethoxyethane?
The InChIKey is LUGOEISOFQSNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H6O2.7C2H4/c1-3-5-4-2;3-1-2-4;7*1-2/h3-4H2,1-2H3;3-4H,1-2H2;7*1-2H2.
What are the key properties of ethane-1,2-diol;ethene;ethoxyethane?
ethane-1,2-diol;ethene;ethoxyethane has a molecular weight of 332.57 g/mol, XLogP of 5.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethene;ethoxyethane is sourced from PubChem (CID 173171004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).