2-propan-2-ylbicyclo[2.2.1]heptan-2-ol

C10H18O — CID 12648920

IUPAC2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC(C)C1(O)CC2CCC1C2
InChIInChI=1S/C10H18O/c1-7(2)10(11)6-8-3-4-9(10)5-8/h7-9,11H,3-6H2,1-2H3
InChIKeyXSEGLIKDPZOFST-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.19
Rot. Bonds1

About 2-propan-2-ylbicyclo[2.2.1]heptan-2-ol

2-propan-2-ylbicyclo[2.2.1]heptan-2-ol (PubChem CID 12648920) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-propan-2-ylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
PubChem CID12648920
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-propan-2-ylbicyclo[2.2.1]heptan-2-ol
SMILESCC(C)C1(O)CC2CCC1C2
InChIInChI=1S/C10H18O/c1-7(2)10(11)6-8-3-4-9(10)5-8/h7-9,11H,3-6H2,1-2H3
InChIKeyXSEGLIKDPZOFST-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-propan-2-ylbicyclo[2.2.1]heptan-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-propan-2-ylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-propan-2-ylbicyclo[2.2.1]heptan-2-ol (CID 12648920) is 2-propan-2-ylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-propan-2-ylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-propan-2-ylbicyclo[2.2.1]heptan-2-ol is CC(C)C1(O)CC2CCC1C2.
What is the InChIKey of 2-propan-2-ylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is XSEGLIKDPZOFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7(2)10(11)6-8-3-4-9(10)5-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-propan-2-ylbicyclo[2.2.1]heptan-2-ol?
2-propan-2-ylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 154.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 12648920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).