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

C8H14O — CID 145484085

IUPAC(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC[C@@H]1CC[C@H]2OCC[C@@H]12
InChIInChI=1S/C8H14O/c1-6-2-3-8-7(6)4-5-9-8/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyJKQXGVWOZZQYMS-GJMOJQLCSA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds

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

(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 145484085) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID145484085
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESC[C@@H]1CC[C@H]2OCC[C@@H]12
InChIInChI=1S/C8H14O/c1-6-2-3-8-7(6)4-5-9-8/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1
InChIKeyJKQXGVWOZZQYMS-GJMOJQLCSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan 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 (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 145484085) is (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is C[C@@H]1CC[C@H]2OCC[C@@H]12.
What is the InChIKey of (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is JKQXGVWOZZQYMS-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H14O/c1-6-2-3-8-7(6)4-5-9-8/h6-8H,2-5H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 126.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-4-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 145484085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).