6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol

C9H14O2 — CID 71394256

IUPAC6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol
SMILESCC1(C)C2CC1C(O)C=C2O
InChIInChI=1S/C9H14O2/c1-9(2)5-3-6(9)8(11)4-7(5)10/h4-7,10-11H,3H2,1-2H3
InChIKeyBIJSJTUOWGRFOG-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.47
Rot. Bonds

About 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol

6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol (PubChem CID 71394256) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol.

Molecular Properties

Compound Name6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol
PubChem CID71394256
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol
SMILESCC1(C)C2CC1C(O)C=C2O
InChIInChI=1S/C9H14O2/c1-9(2)5-3-6(9)8(11)4-7(5)10/h4-7,10-11H,3H2,1-2H3
InChIKeyBIJSJTUOWGRFOG-UHFFFAOYSA-N
XLogP1.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol 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 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol?
The IUPAC name of 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol (CID 71394256) is 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol.
What is the SMILES notation for 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol?
The canonical SMILES for 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol is CC1(C)C2CC1C(O)C=C2O.
What is the InChIKey of 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol?
The InChIKey is BIJSJTUOWGRFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9(2)5-3-6(9)8(11)4-7(5)10/h4-7,10-11H,3H2,1-2H3.
What are the key properties of 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol?
6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol has a molecular weight of 154.21 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2,4-diol is sourced from PubChem (CID 71394256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).