(2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

C12H18O3 — CID 10608517

IUPAC(2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESO=C1C[C@@H]2C[C@H](C3CCCCC3)O[C@@H]2O1
InChIInChI=1S/C12H18O3/c13-11-7-9-6-10(14-12(9)15-11)8-4-2-1-3-5-8/h8-10,12H,1-7H2/t9-,10+,12+/m0/s1
InChIKeyURLPUOYAMYJFLH-HOSYDEDBSA-N
MW210.27 g/mol
LogP2.24
Rot. Bonds1

About (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

(2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (PubChem CID 10608517) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.

Molecular Properties

Compound Name(2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
PubChem CID10608517
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one
SMILESO=C1C[C@@H]2C[C@H](C3CCCCC3)O[C@@H]2O1
InChIInChI=1S/C12H18O3/c13-11-7-9-6-10(14-12(9)15-11)8-4-2-1-3-5-8/h8-10,12H,1-7H2/t9-,10+,12+/m0/s1
InChIKeyURLPUOYAMYJFLH-HOSYDEDBSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The IUPAC name of (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one (CID 10608517) is (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one.
What is the SMILES notation for (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The canonical SMILES for (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is O=C1C[C@@H]2C[C@H](C3CCCCC3)O[C@@H]2O1.
What is the InChIKey of (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
The InChIKey is URLPUOYAMYJFLH-HOSYDEDBSA-N. The full InChI is InChI=1S/C12H18O3/c13-11-7-9-6-10(14-12(9)15-11)8-4-2-1-3-5-8/h8-10,12H,1-7H2/t9-,10+,12+/m0/s1.
What are the key properties of (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one?
(2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one has a molecular weight of 210.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,6aR)-2-cyclohexyl-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one is sourced from PubChem (CID 10608517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).