(3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one

C8H12O3 — CID 11819270

IUPAC(3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one
SMILESCC[C@H]1OC(=O)[C@@H]2OCC[C@H]12
InChIInChI=1S/C8H12O3/c1-2-6-5-3-4-10-7(5)8(9)11-6/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyAYBPXFSMKYSVQF-FSDSQADBSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds1

About (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one

(3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one (PubChem CID 11819270) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one.

Molecular Properties

Compound Name(3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one
PubChem CID11819270
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one
SMILESCC[C@H]1OC(=O)[C@@H]2OCC[C@H]12
InChIInChI=1S/C8H12O3/c1-2-6-5-3-4-10-7(5)8(9)11-6/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1
InChIKeyAYBPXFSMKYSVQF-FSDSQADBSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one?
The IUPAC name of (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one (CID 11819270) is (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one.
What is the SMILES notation for (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one?
The canonical SMILES for (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one is CC[C@H]1OC(=O)[C@@H]2OCC[C@H]12.
What is the InChIKey of (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one?
The InChIKey is AYBPXFSMKYSVQF-FSDSQADBSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-6-5-3-4-10-7(5)8(9)11-6/h5-7H,2-4H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one?
(3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one has a molecular weight of 156.18 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aR)-4-ethyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-c]furan-6-one is sourced from PubChem (CID 11819270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).