(3S,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

C16H24O8 — CID 158411380

IUPAC(3S,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
SMILESC=CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O.C=CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/2C8H12O4/c2*1-2-10-6-4-12-7-5(9)3-11-8(6)7/h2*2,5-9H,1,3-4H2/t5-,6+,7+,8+;5-,6+,7-,8-/m01/s1
InChIKeyGZIYMVOVAKPULX-MTMXWRRBSA-N
MW344.36 g/mol
LogP-0.65
Rot. Bonds4

About (3S,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,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 (PubChem CID 158411380) has the molecular formula C16H24O8 and a molecular weight of 344.36 g/mol. Its IUPAC name is (3S,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.

Molecular Properties

Compound Name(3S,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
PubChem CID158411380
Molecular FormulaC16H24O8
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Name(3S,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
SMILESC=CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O.C=CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/2C8H12O4/c2*1-2-10-6-4-12-7-5(9)3-11-8(6)7/h2*2,5-9H,1,3-4H2/t5-,6+,7+,8+;5-,6+,7-,8-/m01/s1
InChIKeyGZIYMVOVAKPULX-MTMXWRRBSA-N
XLogP-0.65
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (3S,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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,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?
The IUPAC name of (3S,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 (CID 158411380) is (3S,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.
What is the SMILES notation for (3S,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?
The canonical SMILES for (3S,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 is C=CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O.C=CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O.
What is the InChIKey of (3S,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?
The InChIKey is GZIYMVOVAKPULX-MTMXWRRBSA-N. The full InChI is InChI=1S/2C8H12O4/c2*1-2-10-6-4-12-7-5(9)3-11-8(6)7/h2*2,5-9H,1,3-4H2/t5-,6+,7+,8+;5-,6+,7-,8-/m01/s1.
What are the key properties of (3S,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,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 has a molecular weight of 344.36 g/mol, XLogP of -0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,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 is sourced from PubChem (CID 158411380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).