oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate

C7H10O4 — CID 22381567

IUPACoxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
SMILESO=C(CC1CO1)OCC1CO1
InChIInChI=1S/C7H10O4/c8-7(1-5-2-9-5)11-4-6-3-10-6/h5-6H,1-4H2
InChIKeyMSPIVFIFAWOFPV-UHFFFAOYSA-N
MW158.15 g/mol
LogP-0.28
Rot. Bonds4

About oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate

oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate (PubChem CID 22381567) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate.

Molecular Properties

Compound Nameoxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
PubChem CID22381567
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Nameoxiran-2-ylmethyl 2-(oxiran-2-yl)acetate
SMILESO=C(CC1CO1)OCC1CO1
InChIInChI=1S/C7H10O4/c8-7(1-5-2-9-5)11-4-6-3-10-6/h5-6H,1-4H2
InChIKeyMSPIVFIFAWOFPV-UHFFFAOYSA-N
XLogP-0.28
TPSA51.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 5-0.28
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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Related Compounds

bis(oxiran-2-ylmethyl) carbonate
CID 13170402
oxiran-2-ylmethyl 2-[2-(oxiran-2-ylmethoxy)-2-oxoethyl]sulfonylacetate
CID 156636382
2,2,2-trichloroethyl 2-[(2R)-oxiran-2-yl]acetate
CID 14642567
oxiran-2-ylmethyl 2-[3,5,7-tris[2-(oxiran-2-ylmethoxy)-2-oxoethyl]-1-adamantyl]acetate
CID 87387868
oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
CID 6454894
[(2S)-oxiran-2-yl]methyl 2-[2-[[(2R)-oxiran-2-yl]methoxy]-2-oxoethyl]cyclohexane-1-carboxylate
CID 174137940
bis(oxiran-2-ylmethyl) cyclopropane-1,2-dicarboxylate
CID 23069347
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267
bis(oxiran-2-ylmethyl) carbonate;carbonyl dichloride
CID 155286842
[(2R)-oxiran-2-yl]methyl (2R)-oxirane-2-carboxylate
CID 129390270
[2-(oxiran-2-ylmethoxy)-2-oxoethyl] 2-methylpropanoate
CID 134285618
oxiran-2-ylmethyl 3-oxopent-4-enoate
CID 57267654

Frequently Asked Questions

What is the IUPAC name of oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate?
The IUPAC name of oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate (CID 22381567) is oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate.
What is the SMILES notation for oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate?
The canonical SMILES for oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate is O=C(CC1CO1)OCC1CO1.
What is the InChIKey of oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate?
The InChIKey is MSPIVFIFAWOFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c8-7(1-5-2-9-5)11-4-6-3-10-6/h5-6H,1-4H2.
What are the key properties of oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate?
oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate has a molecular weight of 158.15 g/mol, XLogP of -0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxiran-2-ylmethyl 2-(oxiran-2-yl)acetate is sourced from PubChem (CID 22381567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).