(3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan

C10H17IO4 — CID 129116872

IUPAC(3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
SMILESCO[C@@H]1CO[C@@H]2[C@H](OC(C)C)CO[C@@]21I
InChIInChI=1S/C10H17IO4/c1-6(2)15-7-4-14-10(11)8(12-3)5-13-9(7)10/h6-9H,4-5H2,1-3H3/t7-,8-,9-,10-/m1/s1
InChIKeyFISBBJTWEXFFFT-ZYUZMQFOSA-N
MW328.15 g/mol
LogP1.36
Rot. Bonds3

About (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan

(3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan (PubChem CID 129116872) has the molecular formula C10H17IO4 and a molecular weight of 328.15 g/mol. Its IUPAC name is (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
PubChem CID129116872
Molecular FormulaC10H17IO4
Molecular Weight328.15 g/mol
Exact Mass328.02
IUPAC Name(3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan
SMILESCO[C@@H]1CO[C@@H]2[C@H](OC(C)C)CO[C@@]21I
InChIInChI=1S/C10H17IO4/c1-6(2)15-7-4-14-10(11)8(12-3)5-13-9(7)10/h6-9H,4-5H2,1-3H3/t7-,8-,9-,10-/m1/s1
InChIKeyFISBBJTWEXFFFT-ZYUZMQFOSA-N
XLogP1.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
The IUPAC name of (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan (CID 129116872) is (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan.
What is the SMILES notation for (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
The canonical SMILES for (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan is CO[C@@H]1CO[C@@H]2[C@H](OC(C)C)CO[C@@]21I.
What is the InChIKey of (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
The InChIKey is FISBBJTWEXFFFT-ZYUZMQFOSA-N. The full InChI is InChI=1S/C10H17IO4/c1-6(2)15-7-4-14-10(11)8(12-3)5-13-9(7)10/h6-9H,4-5H2,1-3H3/t7-,8-,9-,10-/m1/s1.
What are the key properties of (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan?
(3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan has a molecular weight of 328.15 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aS)-6a-iodo-6-methoxy-3-propan-2-yloxy-3,3a,5,6-tetrahydro-2H-furo[3,2-b]furan is sourced from PubChem (CID 129116872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).