ethane-1,2-diol;2-ethyloxirane

C6H14O3 — CID 23290341

IUPACethane-1,2-diol;2-ethyloxirane
SMILESCCC1CO1.OCCO
InChIInChI=1S/C4H8O.C2H6O2/c1-2-4-3-5-4;3-1-2-4/h4H,2-3H2,1H3;3-4H,1-2H2
InChIKeyUNMCRSYBGORZFP-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.23
Rot. Bonds2

About ethane-1,2-diol;2-ethyloxirane

ethane-1,2-diol;2-ethyloxirane (PubChem CID 23290341) has the molecular formula C6H14O3 and a molecular weight of 134.18 g/mol. Its IUPAC name is ethane-1,2-diol;2-ethyloxirane.

Molecular Properties

Compound Nameethane-1,2-diol;2-ethyloxirane
PubChem CID23290341
Molecular FormulaC6H14O3
Molecular Weight134.18 g/mol
Exact Mass134.09
IUPAC Nameethane-1,2-diol;2-ethyloxirane
SMILESCCC1CO1.OCCO
InChIInChI=1S/C4H8O.C2H6O2/c1-2-4-3-5-4;3-1-2-4/h4H,2-3H2,1H3;3-4H,1-2H2
InChIKeyUNMCRSYBGORZFP-UHFFFAOYSA-N
XLogP-0.23
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-ethyloxirane?
The IUPAC name of ethane-1,2-diol;2-ethyloxirane (CID 23290341) is ethane-1,2-diol;2-ethyloxirane.
What is the SMILES notation for ethane-1,2-diol;2-ethyloxirane?
The canonical SMILES for ethane-1,2-diol;2-ethyloxirane is CCC1CO1.OCCO.
What is the InChIKey of ethane-1,2-diol;2-ethyloxirane?
The InChIKey is UNMCRSYBGORZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H6O2/c1-2-4-3-5-4;3-1-2-4/h4H,2-3H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-ethyloxirane?
ethane-1,2-diol;2-ethyloxirane has a molecular weight of 134.18 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-ethyloxirane is sourced from PubChem (CID 23290341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).