1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol

C12H20O2 — CID 14586466

IUPAC1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol
SMILESCOC12CC(C)C(C)(C1)C(C)=CC2O
InChIInChI=1S/C12H20O2/c1-8-5-10(13)12(14-4)6-9(2)11(8,3)7-12/h5,9-10,13H,6-7H2,1-4H3
InChIKeyXGXSAKLDRXZZNV-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.13
Rot. Bonds1

About 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol

1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol (PubChem CID 14586466) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol.

Molecular Properties

Compound Name1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol
PubChem CID14586466
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol
SMILESCOC12CC(C)C(C)(C1)C(C)=CC2O
InChIInChI=1S/C12H20O2/c1-8-5-10(13)12(14-4)6-9(2)11(8,3)7-12/h5,9-10,13H,6-7H2,1-4H3
InChIKeyXGXSAKLDRXZZNV-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol?
The IUPAC name of 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol (CID 14586466) is 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol.
What is the SMILES notation for 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol?
The canonical SMILES for 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol is COC12CC(C)C(C)(C1)C(C)=CC2O.
What is the InChIKey of 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol?
The InChIKey is XGXSAKLDRXZZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-8-5-10(13)12(14-4)6-9(2)11(8,3)7-12/h5,9-10,13H,6-7H2,1-4H3.
What are the key properties of 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol?
1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,5,6-trimethylbicyclo[3.2.1]oct-3-en-2-ol is sourced from PubChem (CID 14586466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).