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

C12H20O3 — CID 10798599

IUPAC(3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol
SMILESOC1C[C@@H]2CC(C3CCCCC3)O[C@@H]2O1
InChIInChI=1S/C12H20O3/c13-11-7-9-6-10(14-12(9)15-11)8-4-2-1-3-5-8/h8-13H,1-7H2/t9-,10?,11?,12+/m0/s1
InChIKeyBTOOMMSARUJSAL-WNYYMSAVSA-N
MW212.29 g/mol
LogP2.04
Rot. Bonds1

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

(3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol (PubChem CID 10798599) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol.

Molecular Properties

Compound Name(3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol
PubChem CID10798599
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol
SMILESOC1C[C@@H]2CC(C3CCCCC3)O[C@@H]2O1
InChIInChI=1S/C12H20O3/c13-11-7-9-6-10(14-12(9)15-11)8-4-2-1-3-5-8/h8-13H,1-7H2/t9-,10?,11?,12+/m0/s1
InChIKeyBTOOMMSARUJSAL-WNYYMSAVSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol?
The IUPAC name of (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol (CID 10798599) is (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol.
What is the SMILES notation for (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol?
The canonical SMILES for (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol is OC1C[C@@H]2CC(C3CCCCC3)O[C@@H]2O1.
What is the InChIKey of (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol?
The InChIKey is BTOOMMSARUJSAL-WNYYMSAVSA-N. The full InChI is InChI=1S/C12H20O3/c13-11-7-9-6-10(14-12(9)15-11)8-4-2-1-3-5-8/h8-13H,1-7H2/t9-,10?,11?,12+/m0/s1.
What are the key properties of (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol?
(3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol has a molecular weight of 212.29 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-cyclohexyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-ol is sourced from PubChem (CID 10798599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).