(3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

C12H20O4 — CID 58209395

IUPAC(3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESC=CCCCCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C12H20O4/c1-2-3-4-5-6-14-10-8-16-11-9(13)7-15-12(10)11/h2,9-13H,1,3-8H2/t9-,10-,11-,12-/m1/s1
InChIKeyUORZWDQSXBGGOE-DDHJBXDOSA-N
MW228.29 g/mol
LogP0.89
Rot. Bonds6

About (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

(3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (PubChem CID 58209395) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
PubChem CID58209395
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
SMILESC=CCCCCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChIInChI=1S/C12H20O4/c1-2-3-4-5-6-14-10-8-16-11-9(13)7-15-12(10)11/h2,9-13H,1,3-8H2/t9-,10-,11-,12-/m1/s1
InChIKeyUORZWDQSXBGGOE-DDHJBXDOSA-N
XLogP0.89
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The IUPAC name of (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol (CID 58209395) is (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol.
What is the SMILES notation for (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The canonical SMILES for (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is C=CCCCCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2O.
What is the InChIKey of (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
The InChIKey is UORZWDQSXBGGOE-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H20O4/c1-2-3-4-5-6-14-10-8-16-11-9(13)7-15-12(10)11/h2,9-13H,1,3-8H2/t9-,10-,11-,12-/m1/s1.
What are the key properties of (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol?
(3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol has a molecular weight of 228.29 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aR)-6-hex-5-enoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol is sourced from PubChem (CID 58209395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).