4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane

C9H14O4 — CID 87377535

IUPAC4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane
SMILESCC1CC(C2CO2)OC(C2CO2)O1
InChIInChI=1S/C9H14O4/c1-5-2-6(7-3-10-7)13-9(12-5)8-4-11-8/h5-9H,2-4H2,1H3
InChIKeyYWGSYRBMNOJEDK-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.30
Rot. Bonds2

About 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane

4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane (PubChem CID 87377535) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane.

Molecular Properties

Compound Name4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane
PubChem CID87377535
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane
SMILESCC1CC(C2CO2)OC(C2CO2)O1
InChIInChI=1S/C9H14O4/c1-5-2-6(7-3-10-7)13-9(12-5)8-4-11-8/h5-9H,2-4H2,1H3
InChIKeyYWGSYRBMNOJEDK-UHFFFAOYSA-N
XLogP0.30
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
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 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane?
The IUPAC name of 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane (CID 87377535) is 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane.
What is the SMILES notation for 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane?
The canonical SMILES for 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane is CC1CC(C2CO2)OC(C2CO2)O1.
What is the InChIKey of 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane?
The InChIKey is YWGSYRBMNOJEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-5-2-6(7-3-10-7)13-9(12-5)8-4-11-8/h5-9H,2-4H2,1H3.
What are the key properties of 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane?
4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane has a molecular weight of 186.21 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(oxiran-2-yl)-1,3-dioxane is sourced from PubChem (CID 87377535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).