2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol

C12H22O2 — CID 11542948

IUPAC2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol
SMILESC[C@H]1C=C[C@@](C(C)(C)C)(C(C)(C)O)O1
InChIInChI=1S/C12H22O2/c1-9-7-8-12(14-9,10(2,3)4)11(5,6)13/h7-9,13H,1-6H3/t9-,12+/m0/s1
InChIKeyAWNDYGPUOIMTLA-JOYOIKCWSA-N
MW198.31 g/mol
LogP2.52
Rot. Bonds1

About 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol

2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol (PubChem CID 11542948) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol
PubChem CID11542948
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol
SMILESC[C@H]1C=C[C@@](C(C)(C)C)(C(C)(C)O)O1
InChIInChI=1S/C12H22O2/c1-9-7-8-12(14-9,10(2,3)4)11(5,6)13/h7-9,13H,1-6H3/t9-,12+/m0/s1
InChIKeyAWNDYGPUOIMTLA-JOYOIKCWSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-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 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol?
The IUPAC name of 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol (CID 11542948) is 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol?
The canonical SMILES for 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol is C[C@H]1C=C[C@@](C(C)(C)C)(C(C)(C)O)O1.
What is the InChIKey of 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol?
The InChIKey is AWNDYGPUOIMTLA-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H22O2/c1-9-7-8-12(14-9,10(2,3)4)11(5,6)13/h7-9,13H,1-6H3/t9-,12+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol?
2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol has a molecular weight of 198.31 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 2-[(2S,5R)-5-tert-butyl-2-methyl-2H-furan-5-yl]propan-2-ol is sourced from PubChem (CID 11542948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).