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

C12H18O5 — CID 72700333

IUPAC(3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC=CCO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC1CO1
InChIInChI=1S/C12H18O5/c1-2-3-13-9-6-16-12-10(7-17-11(9)12)15-5-8-4-14-8/h2,8-12H,1,3-7H2/t8?,9-,10+,11+,12+/m0/s1
InChIKeyGLRXEABLLIMOQM-FPNNGLGKSA-N
MW242.27 g/mol
LogP0.14
Rot. Bonds6

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

(3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 72700333) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID72700333
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name(3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESC=CCO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC1CO1
InChIInChI=1S/C12H18O5/c1-2-3-13-9-6-16-12-10(7-17-11(9)12)15-5-8-4-14-8/h2,8-12H,1,3-7H2/t8?,9-,10+,11+,12+/m0/s1
InChIKeyGLRXEABLLIMOQM-FPNNGLGKSA-N
XLogP0.14
TPSA49.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
(6R)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163672850
(3S,3aR,6S,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 21139666
(3S,3aR,6S,6aR)-6-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 14307950
(3S,3aR,6S,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-bis(ethenoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6S,6aR)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-6-ethenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3R,3aR,6S,6aR)-6-ethenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3S,3aR,6S,6aR)-6-ethenoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3S,3aR,6R,6aS)-6-ethenoxy-3-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-6-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3S,3aR,6R,6aR)-6-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3R,3aR,6S,6aR)-6-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;(3S,3aR,6S,6aR)-6-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 163847433
bis(2-(prop-2-enoxymethyl)oxirane);hydrate
CID 87216937
2-methyl-3-(oxiran-2-ylmethoxy)oxetane
CID 175220948
6,7-bis(oxiran-2-ylmethoxy)-3,8-dioxatricyclo[3.2.1.02,4]octane
CID 59502485
(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
methoxysilane;2-(prop-2-enoxymethyl)oxirane
CID 173273777
methoxyethene;2-(prop-2-enoxymethyl)oxirane
CID 174894893

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (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) is (3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is C=CCO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OCC1CO1.
What is the InChIKey of (3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is GLRXEABLLIMOQM-FPNNGLGKSA-N. The full InChI is InChI=1S/C12H18O5/c1-2-3-13-9-6-16-12-10(7-17-11(9)12)15-5-8-4-14-8/h2,8-12H,1,3-7H2/t8?,9-,10+,11+,12+/m0/s1.
What are the key properties of (3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 242.27 g/mol, XLogP of 0.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-6-(oxiran-2-ylmethoxy)-3-prop-2-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 72700333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).