5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol

C11H18O — CID 155012044

IUPAC5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol
SMILESCC(C)(C)C1CC2C=CC1C2O
InChIInChI=1S/C11H18O/c1-11(2,3)9-6-7-4-5-8(9)10(7)12/h4-5,7-10,12H,6H2,1-3H3
InChIKeyYZOLAWXOTKTGLR-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.22
Rot. Bonds

About 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol

5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 155012044) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol
PubChem CID155012044
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol
SMILESCC(C)(C)C1CC2C=CC1C2O
InChIInChI=1S/C11H18O/c1-11(2,3)9-6-7-4-5-8(9)10(7)12/h4-5,7-10,12H,6H2,1-3H3
InChIKeyYZOLAWXOTKTGLR-UHFFFAOYSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol (CID 155012044) is 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol is CC(C)(C)C1CC2C=CC1C2O.
What is the InChIKey of 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is YZOLAWXOTKTGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11(2,3)9-6-7-4-5-8(9)10(7)12/h4-5,7-10,12H,6H2,1-3H3.
What are the key properties of 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol?
5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 166.26 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylbicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 155012044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).