(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C12H18O6 — CID 21139666

IUPAC(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC1OC1CO[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCC1CO1
InChIInChI=1S/C12H18O6/c1-7(13-1)3-15-9-5-17-12-10(6-18-11(9)12)16-4-8-2-14-8/h7-12H,1-6H2/t7?,8?,9-,10-,11+,12+/m0/s1
InChIKeyJEBWAOITKHXCBF-OUTICDTFSA-N
MW258.27 g/mol
LogP-0.65
Rot. Bonds6

About (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 21139666) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID21139666
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Name(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC1OC1CO[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCC1CO1
InChIInChI=1S/C12H18O6/c1-7(13-1)3-15-9-5-17-12-10(6-18-11(9)12)16-4-8-2-14-8/h7-12H,1-6H2/t7?,8?,9-,10-,11+,12+/m0/s1
InChIKeyJEBWAOITKHXCBF-OUTICDTFSA-N
XLogP-0.65
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan with MolForge

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Launch Full Analysis

Related Compounds

(6R)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163672850
(3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 72700333
2-methyl-3-(oxiran-2-ylmethoxy)oxetane
CID 175220948
(2R)-2-[[(1R,2S)-2-[[(2S)-oxiran-2-yl]methoxy]cyclohexyl]oxymethyl]oxirane
CID 129448945
(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163360489
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
6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
CID 59502485
(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
(3S,3aR,6S,6aR)-3,6-bis(prop-2-ynoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118862590
3-[[6-(3-sulfanylpropoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]propane-1-thiol
CID 123784854
3-(oxiran-2-ylmethoxy)oxiran-2-ol
CID 141311016
CID 59015329
CID 59015329

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 21139666) is (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C1OC1CO[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2OCC1CO1.
What is the InChIKey of (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is JEBWAOITKHXCBF-OUTICDTFSA-N. The full InChI is InChI=1S/C12H18O6/c1-7(13-1)3-15-9-5-17-12-10(6-18-11(9)12)16-4-8-2-14-8/h7-12H,1-6H2/t7?,8?,9-,10-,11+,12+/m0/s1.
What are the key properties of (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 258.27 g/mol, XLogP of -0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 21139666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).