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

C10H18O4 — CID 68725869

IUPAC(3S,3aR,6R,6aR)-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-UTINFBMNSA-N
MW202.25 g/mol
LogP0.59
Rot. Bonds4

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

(3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (PubChem CID 68725869) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.

Molecular Properties

Compound Name(3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
PubChem CID68725869
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3S,3aR,6R,6aR)-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-UTINFBMNSA-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

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Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The IUPAC name of (3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan (CID 68725869) is (3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
What is the SMILES notation for (3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The canonical SMILES for (3S,3aR,6R,6aR)-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 (3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
The InChIKey is AWODWWZOMLJAAS-UTINFBMNSA-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 (3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan?
(3S,3aR,6R,6aR)-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 (3S,3aR,6R,6aR)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan is sourced from PubChem (CID 68725869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).