2-[bis(oxiran-2-yl)methyl]oxetane

C8H12O3 — CID 57278743

IUPAC2-[bis(oxiran-2-yl)methyl]oxetane
SMILESC1CC(C(C2CO2)C2CO2)O1
InChIInChI=1S/C8H12O3/c1-2-9-5(1)8(6-3-10-6)7-4-11-7/h5-8H,1-4H2
InChIKeyPKRZOBIKZVICHL-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.19
Rot. Bonds3

About 2-[bis(oxiran-2-yl)methyl]oxetane

2-[bis(oxiran-2-yl)methyl]oxetane (PubChem CID 57278743) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-[bis(oxiran-2-yl)methyl]oxetane.

Molecular Properties

Compound Name2-[bis(oxiran-2-yl)methyl]oxetane
PubChem CID57278743
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-[bis(oxiran-2-yl)methyl]oxetane
SMILESC1CC(C(C2CO2)C2CO2)O1
InChIInChI=1S/C8H12O3/c1-2-9-5(1)8(6-3-10-6)7-4-11-7/h5-8H,1-4H2
InChIKeyPKRZOBIKZVICHL-UHFFFAOYSA-N
XLogP0.19
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.19
H-Bond Donors ≤ 50
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 2-[bis(oxiran-2-yl)methyl]oxetane?
The IUPAC name of 2-[bis(oxiran-2-yl)methyl]oxetane (CID 57278743) is 2-[bis(oxiran-2-yl)methyl]oxetane.
What is the SMILES notation for 2-[bis(oxiran-2-yl)methyl]oxetane?
The canonical SMILES for 2-[bis(oxiran-2-yl)methyl]oxetane is C1CC(C(C2CO2)C2CO2)O1.
What is the InChIKey of 2-[bis(oxiran-2-yl)methyl]oxetane?
The InChIKey is PKRZOBIKZVICHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-9-5(1)8(6-3-10-6)7-4-11-7/h5-8H,1-4H2.
What are the key properties of 2-[bis(oxiran-2-yl)methyl]oxetane?
2-[bis(oxiran-2-yl)methyl]oxetane has a molecular weight of 156.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(oxiran-2-yl)methyl]oxetane is sourced from PubChem (CID 57278743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).