(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

C10H18O4 — CID 163360489

IUPAC(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCO[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OCC
InChIInChI=1S/C10H18O4/c1-3-11-7-5-13-10-8(12-4-2)6-14-9(7)10/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyAWODWWZOMLJAAS-KYXWUPHJSA-N
MW202.25 g/mol
LogP0.59
Rot. Bonds4

About (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 163360489) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID163360489
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
SMILESCCO[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OCC
InChIInChI=1S/C10H18O4/c1-3-11-7-5-13-10-8(12-4-2)6-14-9(7)10/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyAWODWWZOMLJAAS-KYXWUPHJSA-N
XLogP0.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan 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,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 163360489) is (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is CCO[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OCC.
What is the InChIKey of (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is AWODWWZOMLJAAS-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H18O4/c1-3-11-7-5-13-10-8(12-4-2)6-14-9(7)10/h7-10H,3-6H2,1-2H3/t7-,8-,9-,10+/m1/s1.
What are the key properties of (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan has a molecular weight of 202.25 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 163360489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).