(3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan

C13H16O2 — CID 11264176

IUPAC(3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
SMILESc1ccc(C[C@H]2CO[C@H]3OCC[C@@H]23)cc1
InChIInChI=1S/C13H16O2/c1-2-4-10(5-3-1)8-11-9-15-13-12(11)6-7-14-13/h1-5,11-13H,6-9H2/t11-,12-,13+/m0/s1
InChIKeyGXRACHRSMHTAPZ-RWMBFGLXSA-N
MW204.27 g/mol
LogP2.24
Rot. Bonds2

About (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan

(3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan (PubChem CID 11264176) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan.

Molecular Properties

Compound Name(3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
PubChem CID11264176
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan
SMILESc1ccc(C[C@H]2CO[C@H]3OCC[C@@H]23)cc1
InChIInChI=1S/C13H16O2/c1-2-4-10(5-3-1)8-11-9-15-13-12(11)6-7-14-13/h1-5,11-13H,6-9H2/t11-,12-,13+/m0/s1
InChIKeyGXRACHRSMHTAPZ-RWMBFGLXSA-N
XLogP2.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
The IUPAC name of (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan (CID 11264176) is (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan.
What is the SMILES notation for (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
The canonical SMILES for (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan is c1ccc(C[C@H]2CO[C@H]3OCC[C@@H]23)cc1.
What is the InChIKey of (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
The InChIKey is GXRACHRSMHTAPZ-RWMBFGLXSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-4-10(5-3-1)8-11-9-15-13-12(11)6-7-14-13/h1-5,11-13H,6-9H2/t11-,12-,13+/m0/s1.
What are the key properties of (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan?
(3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan has a molecular weight of 204.27 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-4-benzyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan is sourced from PubChem (CID 11264176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).