(3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol

C10H18O3 — CID 58620309

IUPAC(3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol
SMILESCC[C@H]1[C@@H]2C(O)C(O)O[C@@H]2C[C@@H]1C
InChIInChI=1S/C10H18O3/c1-3-6-5(2)4-7-8(6)9(11)10(12)13-7/h5-12H,3-4H2,1-2H3/t5-,6+,7+,8-,9?,10?/m0/s1
InChIKeyFLMGUDOIOUTAAP-QSFBUJSSSA-N
MW186.25 g/mol
LogP0.75
Rot. Bonds1

About (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol

(3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol (PubChem CID 58620309) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol.

Molecular Properties

Compound Name(3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol
PubChem CID58620309
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol
SMILESCC[C@H]1[C@@H]2C(O)C(O)O[C@@H]2C[C@@H]1C
InChIInChI=1S/C10H18O3/c1-3-6-5(2)4-7-8(6)9(11)10(12)13-7/h5-12H,3-4H2,1-2H3/t5-,6+,7+,8-,9?,10?/m0/s1
InChIKeyFLMGUDOIOUTAAP-QSFBUJSSSA-N
XLogP0.75
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol 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 (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol?
The IUPAC name of (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol (CID 58620309) is (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol.
What is the SMILES notation for (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol?
The canonical SMILES for (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol is CC[C@H]1[C@@H]2C(O)C(O)O[C@@H]2C[C@@H]1C.
What is the InChIKey of (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol?
The InChIKey is FLMGUDOIOUTAAP-QSFBUJSSSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-6-5(2)4-7-8(6)9(11)10(12)13-7/h5-12H,3-4H2,1-2H3/t5-,6+,7+,8-,9?,10?/m0/s1.
What are the key properties of (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol?
(3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol has a molecular weight of 186.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5S,6aR)-4-ethyl-5-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2,3-diol is sourced from PubChem (CID 58620309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).