1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol

C9H16O5 — CID 156697359

IUPAC1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(C)O
InChIInChI=1S/C9H16O5/c1-5(10)14-7-4-13-8-6(11-2)3-12-9(7)8/h5-10H,3-4H2,1-2H3/t5?,6-,7-,8-,9-/m1/s1
InChIKeyUXMUBKUZZNYQCL-KFUBRKPTSA-N
MW204.22 g/mol
LogP-0.48
Rot. Bonds3

About 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol

1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol (PubChem CID 156697359) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol.

Molecular Properties

Compound Name1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol
PubChem CID156697359
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol
SMILESCO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(C)O
InChIInChI=1S/C9H16O5/c1-5(10)14-7-4-13-8-6(11-2)3-12-9(7)8/h5-10H,3-4H2,1-2H3/t5?,6-,7-,8-,9-/m1/s1
InChIKeyUXMUBKUZZNYQCL-KFUBRKPTSA-N
XLogP-0.48
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol with MolForge

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

Launch Full Analysis

Related Compounds

(3S,3aR,6S,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159029439
(3R,3aR,6R,6aS)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 7168228
(3S,3aS,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 13002871
(3S,6S,6aR)-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol
CID 163517831
[(3S,6R)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] N,N-di(propan-2-yl)carbamate
CID 10902255
(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118967664
3-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]propan-1-ol
CID 170789483
(3R,3aR,6S,6aR)-6-[(2-methylpropan-2-yl)oxy]-3-propan-2-yloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 139315328
tris(dimethoxymethane);hydron;(3R,6R)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,6R)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,6S)-3-methoxy-6-(methoxymethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159086843
(3S,3aR,6S,6aS)-N-cyclohexyl-6-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-amine
CID 23256231
(2S,3S,4R,5R)-5-methoxy-2-propan-2-yloxane-3,4-diol
CID 130359987
(4R)-3,7-dimethoxy-4-methyl-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]iodoxine
CID 163754467

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol?
The IUPAC name of 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol (CID 156697359) is 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol.
What is the SMILES notation for 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol?
The canonical SMILES for 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol is CO[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(C)O.
What is the InChIKey of 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol?
The InChIKey is UXMUBKUZZNYQCL-KFUBRKPTSA-N. The full InChI is InChI=1S/C9H16O5/c1-5(10)14-7-4-13-8-6(11-2)3-12-9(7)8/h5-10H,3-4H2,1-2H3/t5?,6-,7-,8-,9-/m1/s1.
What are the key properties of 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol?
1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol has a molecular weight of 204.22 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]ethanol is sourced from PubChem (CID 156697359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).