(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene

C10H16O5 — CID 66760272

IUPAC(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene
SMILESC=COC=C.O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C6H10O4.C4H6O/c7-3-1-9-6-4(8)2-10-5(3)6;1-3-5-4-2/h3-8H,1-2H2;3-4H,1-2H2/t3-,4+,5-,6-;/m1./s1
InChIKeyLBQVYTIARLVQGF-VFQQELCFSA-N
MW216.23 g/mol
LogP-0.20
Rot. Bonds2

About (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene

(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene (PubChem CID 66760272) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene
PubChem CID66760272
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene
SMILESC=COC=C.O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O
InChIInChI=1S/C6H10O4.C4H6O/c7-3-1-9-6-4(8)2-10-5(3)6;1-3-5-4-2/h3-8H,1-2H2;3-4H,1-2H2/t3-,4+,5-,6-;/m1./s1
InChIKeyLBQVYTIARLVQGF-VFQQELCFSA-N
XLogP-0.20
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene?
The IUPAC name of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene (CID 66760272) is (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene.
What is the SMILES notation for (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene?
The canonical SMILES for (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene is C=COC=C.O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2O.
What is the InChIKey of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene?
The InChIKey is LBQVYTIARLVQGF-VFQQELCFSA-N. The full InChI is InChI=1S/C6H10O4.C4H6O/c7-3-1-9-6-4(8)2-10-5(3)6;1-3-5-4-2/h3-8H,1-2H2;3-4H,1-2H2/t3-,4+,5-,6-;/m1./s1.
What are the key properties of (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene?
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene has a molecular weight of 216.23 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;ethenoxyethene is sourced from PubChem (CID 66760272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).