[(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol

C14H22O2 — CID 10609075

IUPAC[(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol
SMILESCC1=CCC[C@@]2(C)[C@@H]1C[C@H]1O[C@@H](CO)C[C@@H]12
InChIInChI=1S/C14H22O2/c1-9-4-3-5-14(2)11(9)7-13-12(14)6-10(8-15)16-13/h4,10-13,15H,3,5-8H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
InChIKeyICKDIOLEXLWHIK-RGDJUOJXSA-N
MW222.33 g/mol
LogP2.52
Rot. Bonds1

About [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol

[(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol (PubChem CID 10609075) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol
PubChem CID10609075
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name[(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol
SMILESCC1=CCC[C@@]2(C)[C@@H]1C[C@H]1O[C@@H](CO)C[C@@H]12
InChIInChI=1S/C14H22O2/c1-9-4-3-5-14(2)11(9)7-13-12(14)6-10(8-15)16-13/h4,10-13,15H,3,5-8H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1
InChIKeyICKDIOLEXLWHIK-RGDJUOJXSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol 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 [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol?
The IUPAC name of [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol (CID 10609075) is [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol.
What is the SMILES notation for [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol?
The canonical SMILES for [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol is CC1=CCC[C@@]2(C)[C@@H]1C[C@H]1O[C@@H](CO)C[C@@H]12.
What is the InChIKey of [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol?
The InChIKey is ICKDIOLEXLWHIK-RGDJUOJXSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-4-3-5-14(2)11(9)7-13-12(14)6-10(8-15)16-13/h4,10-13,15H,3,5-8H2,1-2H3/t10-,11-,12+,13-,14+/m1/s1.
What are the key properties of [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol?
[(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol has a molecular weight of 222.33 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,4aR,8aS,8bR)-5,8a-dimethyl-1,2,3a,4,4a,7,8,8b-octahydroindeno[2,1-b]furan-2-yl]methanol is sourced from PubChem (CID 10609075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).