(1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol

C15H26O2 — CID 134875484

IUPAC(1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol
SMILESCO[C@@]12CC[C@@](C)(C1)C(C)=C[C@@]2(O)C(C)(C)C
InChIInChI=1S/C15H26O2/c1-11-9-15(16,12(2,3)4)14(17-6)8-7-13(11,5)10-14/h9,16H,7-8,10H2,1-6H3/t13-,14-,15+/m0/s1
InChIKeyLUNZCZCUUFFLNP-SOUVJXGZSA-N
MW238.37 g/mol
LogP3.30
Rot. Bonds1

About (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol

(1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 134875484) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name(1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol
PubChem CID134875484
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol
SMILESCO[C@@]12CC[C@@](C)(C1)C(C)=C[C@@]2(O)C(C)(C)C
InChIInChI=1S/C15H26O2/c1-11-9-15(16,12(2,3)4)14(17-6)8-7-13(11,5)10-14/h9,16H,7-8,10H2,1-6H3/t13-,14-,15+/m0/s1
InChIKeyLUNZCZCUUFFLNP-SOUVJXGZSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-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 (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol (CID 134875484) is (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol is CO[C@@]12CC[C@@](C)(C1)C(C)=C[C@@]2(O)C(C)(C)C.
What is the InChIKey of (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is LUNZCZCUUFFLNP-SOUVJXGZSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-9-15(16,12(2,3)4)14(17-6)8-7-13(11,5)10-14/h9,16H,7-8,10H2,1-6H3/t13-,14-,15+/m0/s1.
What are the key properties of (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol?
(1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 238.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S)-2-tert-butyl-1-methoxy-4,5-dimethylbicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 134875484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).