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

C10H18O3 — CID 18348167

IUPACethene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C.C=C
InChIInChI=1S/C6H10O3.2C2H4/c1(5-3-8-5)7-2-6-4-9-6;2*1-2/h5-6H,1-4H2;2*1-2H2
InChIKeyYXPIGUMSFHZOHP-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.40
Rot. Bonds4

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

ethene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 18348167) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Nameethene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID18348167
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C.C=C
InChIInChI=1S/C6H10O3.2C2H4/c1(5-3-8-5)7-2-6-4-9-6;2*1-2/h5-6H,1-4H2;2*1-2H2
InChIKeyYXPIGUMSFHZOHP-UHFFFAOYSA-N
XLogP1.40
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of ethene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 18348167) is ethene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for ethene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for ethene;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=C.C=C.
What is the InChIKey of ethene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is YXPIGUMSFHZOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.2C2H4/c1(5-3-8-5)7-2-6-4-9-6;2*1-2/h5-6H,1-4H2;2*1-2H2.
What are the key properties of ethene;2-(oxiran-2-ylmethoxymethyl)oxirane?
ethene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 186.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 18348167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).