5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan

C12H16O5 — CID 134445113

IUPAC5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
SMILESc1cc(COC[C@H]2CO2)oc1COC[C@@H]1CO1
InChIInChI=1S/C12H16O5/c1-2-10(4-14-6-12-8-16-12)17-9(1)3-13-5-11-7-15-11/h1-2,11-12H,3-8H2/t11-,12+
InChIKeyTUJVCLIFHDKFFM-TXEJJXNPSA-N
MW240.25 g/mol
LogP1.11
Rot. Bonds8

About 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan

5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan (PubChem CID 134445113) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan.

Molecular Properties

Compound Name5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
PubChem CID134445113
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan
SMILESc1cc(COC[C@H]2CO2)oc1COC[C@@H]1CO1
InChIInChI=1S/C12H16O5/c1-2-10(4-14-6-12-8-16-12)17-9(1)3-13-5-11-7-15-11/h1-2,11-12H,3-8H2/t11-,12+
InChIKeyTUJVCLIFHDKFFM-TXEJJXNPSA-N
XLogP1.11
TPSA56.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methanol
CID 177277169
2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]acetonitrile
CID 132508479
3-(oxiran-2-ylmethoxy)-6-[[3-[3-[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methoxymethyl]oxiran-2-yl]oxiran-2-yl]methoxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 174203558
4-[[5-[(2-oxo-1,3-dioxolan-4-yl)methoxymethyl]furan-2-yl]methoxymethyl]-1,3-dioxolan-2-one
CID 139535336
(2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one
CID 163302816
bis(benzene-1,4-diol);2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158653156
2-[[2,4,5-tris(oxiran-2-ylmethoxymethyl)phenyl]methoxymethyl]oxirane
CID 139993716
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
5-ethyl-5-(oxiran-2-ylmethoxymethyl)-2-[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]-1,3-dioxane
CID 177315409
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
(2S)-2-(thiophen-2-ylmethoxymethyl)oxirane
CID 7127504
(2R)-2-[(4-nitrophenyl)methoxymethyl]oxirane
CID 129386146

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan?
The IUPAC name of 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan (CID 134445113) is 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan.
What is the SMILES notation for 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan?
The canonical SMILES for 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan is c1cc(COC[C@H]2CO2)oc1COC[C@@H]1CO1.
What is the InChIKey of 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan?
The InChIKey is TUJVCLIFHDKFFM-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H16O5/c1-2-10(4-14-6-12-8-16-12)17-9(1)3-13-5-11-7-15-11/h1-2,11-12H,3-8H2/t11-,12+.
What are the key properties of 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan?
5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan has a molecular weight of 240.25 g/mol, XLogP of 1.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-oxiran-2-yl]methoxymethyl]-2-[[(2R)-oxiran-2-yl]methoxymethyl]furan is sourced from PubChem (CID 134445113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).