ethane-1,2-diol;ethene;oxolan-2-one

C8H16O4 — CID 67568784

IUPACethane-1,2-diol;ethene;oxolan-2-one
SMILESC=C.O=C1CCCO1.OCCO
InChIInChI=1S/C4H6O2.C2H6O2.C2H4/c5-4-2-1-3-6-4;3-1-2-4;1-2/h1-3H2;3-4H,1-2H2;1-2H2
InChIKeyGWNLBYFHCAEVFM-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.10
Rot. Bonds1

About ethane-1,2-diol;ethene;oxolan-2-one

ethane-1,2-diol;ethene;oxolan-2-one (PubChem CID 67568784) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is ethane-1,2-diol;ethene;oxolan-2-one.

Molecular Properties

Compound Nameethane-1,2-diol;ethene;oxolan-2-one
PubChem CID67568784
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Nameethane-1,2-diol;ethene;oxolan-2-one
SMILESC=C.O=C1CCCO1.OCCO
InChIInChI=1S/C4H6O2.C2H6O2.C2H4/c5-4-2-1-3-6-4;3-1-2-4;1-2/h1-3H2;3-4H,1-2H2;1-2H2
InChIKeyGWNLBYFHCAEVFM-UHFFFAOYSA-N
XLogP0.10
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethene;oxolan-2-one?
The IUPAC name of ethane-1,2-diol;ethene;oxolan-2-one (CID 67568784) is ethane-1,2-diol;ethene;oxolan-2-one.
What is the SMILES notation for ethane-1,2-diol;ethene;oxolan-2-one?
The canonical SMILES for ethane-1,2-diol;ethene;oxolan-2-one is C=C.O=C1CCCO1.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene;oxolan-2-one?
The InChIKey is GWNLBYFHCAEVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C2H6O2.C2H4/c5-4-2-1-3-6-4;3-1-2-4;1-2/h1-3H2;3-4H,1-2H2;1-2H2.
What are the key properties of ethane-1,2-diol;ethene;oxolan-2-one?
ethane-1,2-diol;ethene;oxolan-2-one has a molecular weight of 176.21 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethene;oxolan-2-one is sourced from PubChem (CID 67568784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).