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

C13H22O4 — CID 10847745

IUPAC(2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol
SMILESCOC1C[C@]2(O)C[C@@H](C3CCCCC3)O[C@@H]2O1
InChIInChI=1S/C13H22O4/c1-15-11-8-13(14)7-10(16-12(13)17-11)9-5-3-2-4-6-9/h9-12,14H,2-8H2,1H3/t10-,11?,12+,13+/m0/s1
InChIKeyLKBUDNJZJUQKLZ-FUODJGDSSA-N
MW242.31 g/mol
LogP1.81
Rot. Bonds2

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

(2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol (PubChem CID 10847745) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol.

Molecular Properties

Compound Name(2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol
PubChem CID10847745
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol
SMILESCOC1C[C@]2(O)C[C@@H](C3CCCCC3)O[C@@H]2O1
InChIInChI=1S/C13H22O4/c1-15-11-8-13(14)7-10(16-12(13)17-11)9-5-3-2-4-6-9/h9-12,14H,2-8H2,1H3/t10-,11?,12+,13+/m0/s1
InChIKeyLKBUDNJZJUQKLZ-FUODJGDSSA-N
XLogP1.81
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol?
The IUPAC name of (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol (CID 10847745) is (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol.
What is the SMILES notation for (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol?
The canonical SMILES for (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol is COC1C[C@]2(O)C[C@@H](C3CCCCC3)O[C@@H]2O1.
What is the InChIKey of (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol?
The InChIKey is LKBUDNJZJUQKLZ-FUODJGDSSA-N. The full InChI is InChI=1S/C13H22O4/c1-15-11-8-13(14)7-10(16-12(13)17-11)9-5-3-2-4-6-9/h9-12,14H,2-8H2,1H3/t10-,11?,12+,13+/m0/s1.
What are the key properties of (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol?
(2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol has a molecular weight of 242.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,6aR)-2-cyclohexyl-5-methoxy-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-ol is sourced from PubChem (CID 10847745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).