(3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol

C12H20O3 — CID 10798598

IUPAC(3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol
SMILESO[C@]12CCO[C@H]1O[C@H](C1CCCCC1)C2
InChIInChI=1S/C12H20O3/c13-12-6-7-14-11(12)15-10(8-12)9-4-2-1-3-5-9/h9-11,13H,1-8H2/t10-,11-,12-/m0/s1
InChIKeyIOOWRHLUVKFGFF-SRVKXCTJSA-N
MW212.29 g/mol
LogP1.83
Rot. Bonds1

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

(3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol (PubChem CID 10798598) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol.

Molecular Properties

Compound Name(3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol
PubChem CID10798598
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol
SMILESO[C@]12CCO[C@H]1O[C@H](C1CCCCC1)C2
InChIInChI=1S/C12H20O3/c13-12-6-7-14-11(12)15-10(8-12)9-4-2-1-3-5-9/h9-11,13H,1-8H2/t10-,11-,12-/m0/s1
InChIKeyIOOWRHLUVKFGFF-SRVKXCTJSA-N
XLogP1.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol?
The IUPAC name of (3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol (CID 10798598) is (3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol.
What is the SMILES notation for (3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol?
The canonical SMILES for (3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol is O[C@]12CCO[C@H]1O[C@H](C1CCCCC1)C2.
What is the InChIKey of (3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol?
The InChIKey is IOOWRHLUVKFGFF-SRVKXCTJSA-N. The full InChI is InChI=1S/C12H20O3/c13-12-6-7-14-11(12)15-10(8-12)9-4-2-1-3-5-9/h9-11,13H,1-8H2/t10-,11-,12-/m0/s1.
What are the key properties of (3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol?
(3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol has a molecular weight of 212.29 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aS)-5-cyclohexyl-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol is sourced from PubChem (CID 10798598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).