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

C12H20O3 — CID 87201802

IUPACcyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C1=CCCCC1
InChIInChI=1S/C6H10O3.C6H10/c1(5-3-8-5)7-2-6-4-9-6;1-2-4-6-5-3-1/h5-6H,1-4H2;1-2H,3-6H2
InChIKeyXLFZCJJBWVBILG-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.92
Rot. Bonds4

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

cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 87201802) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Namecyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID87201802
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Namecyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C1=CCCCC1
InChIInChI=1S/C6H10O3.C6H10/c1(5-3-8-5)7-2-6-4-9-6;1-2-4-6-5-3-1/h5-6H,1-4H2;1-2H,3-6H2
InChIKeyXLFZCJJBWVBILG-UHFFFAOYSA-N
XLogP1.92
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.92
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 cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 87201802) is cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C1=CCCCC1.
What is the InChIKey of cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is XLFZCJJBWVBILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C6H10/c1(5-3-8-5)7-2-6-4-9-6;1-2-4-6-5-3-1/h5-6H,1-4H2;1-2H,3-6H2.
What are the key properties of cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane?
cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 212.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 87201802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).