2,2-bis(oxiran-2-yl)oxirane

C6H8O3 — CID 88508066

IUPAC2,2-bis(oxiran-2-yl)oxirane
SMILESC1OC1C1(C2CO2)CO1
InChIInChI=1S/C6H8O3/c1-4(7-1)6(3-9-6)5-2-8-5/h4-5H,1-3H2
InChIKeyDOELVJZJKPFVNQ-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.45
Rot. Bonds2

About 2,2-bis(oxiran-2-yl)oxirane

2,2-bis(oxiran-2-yl)oxirane (PubChem CID 88508066) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 2,2-bis(oxiran-2-yl)oxirane.

Molecular Properties

Compound Name2,2-bis(oxiran-2-yl)oxirane
PubChem CID88508066
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name2,2-bis(oxiran-2-yl)oxirane
SMILESC1OC1C1(C2CO2)CO1
InChIInChI=1S/C6H8O3/c1-4(7-1)6(3-9-6)5-2-8-5/h4-5H,1-3H2
InChIKeyDOELVJZJKPFVNQ-UHFFFAOYSA-N
XLogP-0.45
TPSA37.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.45
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 2,2-bis(oxiran-2-yl)oxirane?
The IUPAC name of 2,2-bis(oxiran-2-yl)oxirane (CID 88508066) is 2,2-bis(oxiran-2-yl)oxirane.
What is the SMILES notation for 2,2-bis(oxiran-2-yl)oxirane?
The canonical SMILES for 2,2-bis(oxiran-2-yl)oxirane is C1OC1C1(C2CO2)CO1.
What is the InChIKey of 2,2-bis(oxiran-2-yl)oxirane?
The InChIKey is DOELVJZJKPFVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-4(7-1)6(3-9-6)5-2-8-5/h4-5H,1-3H2.
What are the key properties of 2,2-bis(oxiran-2-yl)oxirane?
2,2-bis(oxiran-2-yl)oxirane has a molecular weight of 128.13 g/mol, XLogP of -0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(oxiran-2-yl)oxirane is sourced from PubChem (CID 88508066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).