ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

C8H16O4 — CID 87071861

IUPACethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCO
InChIInChI=1S/C6H10O3.C2H6O/c1(5-3-8-5)7-2-6-4-9-6;1-2-3/h5-6H,1-4H2;3H,2H2,1H3
InChIKeyUNQBGGFFZBGFQJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.20
Rot. Bonds4

About ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane

ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87071861) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Nameethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87071861
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Nameethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.CCO
InChIInChI=1S/C6H10O3.C2H6O/c1(5-3-8-5)7-2-6-4-9-6;1-2-3/h5-6H,1-4H2;3H,2H2,1H3
InChIKeyUNQBGGFFZBGFQJ-UHFFFAOYSA-N
XLogP-0.20
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87071861) is ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.CCO.
What is the InChIKey of ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is UNQBGGFFZBGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C2H6O/c1(5-3-8-5)7-2-6-4-9-6;1-2-3/h5-6H,1-4H2;3H,2H2,1H3.
What are the key properties of ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane?
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 176.21 g/mol, XLogP of -0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87071861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).