(2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol

C15H24O2 — CID 139587358

IUPAC(2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol
SMILESCC1=C[C@@H]2O[C@]3(C)C[C@@H](O)C[C@]3(C)[C@@]2(C)CC1
InChIInChI=1S/C15H24O2/c1-10-5-6-13(2)12(7-10)17-15(4)9-11(16)8-14(13,15)3/h7,11-12,16H,5-6,8-9H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyAEVRZHUASKUUBI-BTFPBAQTSA-N
MW236.35 g/mol
LogP3.05
Rot. Bonds

About (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol

(2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol (PubChem CID 139587358) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol.

Molecular Properties

Compound Name(2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol
PubChem CID139587358
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol
SMILESCC1=C[C@@H]2O[C@]3(C)C[C@@H](O)C[C@]3(C)[C@@]2(C)CC1
InChIInChI=1S/C15H24O2/c1-10-5-6-13(2)12(7-10)17-15(4)9-11(16)8-14(13,15)3/h7,11-12,16H,5-6,8-9H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1
InChIKeyAEVRZHUASKUUBI-BTFPBAQTSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-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,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol?
The IUPAC name of (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol (CID 139587358) is (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol.
What is the SMILES notation for (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol?
The canonical SMILES for (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol is CC1=C[C@@H]2O[C@]3(C)C[C@@H](O)C[C@]3(C)[C@@]2(C)CC1.
What is the InChIKey of (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol?
The InChIKey is AEVRZHUASKUUBI-BTFPBAQTSA-N. The full InChI is InChI=1S/C15H24O2/c1-10-5-6-13(2)12(7-10)17-15(4)9-11(16)8-14(13,15)3/h7,11-12,16H,5-6,8-9H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1.
What are the key properties of (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol?
(2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol has a molecular weight of 236.35 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,4aS,8aR,8bR)-3a,6,8a,8b-tetramethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol is sourced from PubChem (CID 139587358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).