2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol

C10H16O — CID 67300713

IUPAC2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol
SMILESCC1=C(O)CC2CC1C2(C)C
InChIInChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8,11H,4-5H2,1-3H3
InChIKeyURQIMFOVMFUDSO-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.88
Rot. Bonds

About 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol

2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol (PubChem CID 67300713) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol.

Molecular Properties

Compound Name2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol
PubChem CID67300713
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol
SMILESCC1=C(O)CC2CC1C2(C)C
InChIInChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8,11H,4-5H2,1-3H3
InChIKeyURQIMFOVMFUDSO-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-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 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol?
The IUPAC name of 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol (CID 67300713) is 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol.
What is the SMILES notation for 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol?
The canonical SMILES for 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol is CC1=C(O)CC2CC1C2(C)C.
What is the InChIKey of 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol?
The InChIKey is URQIMFOVMFUDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8,11H,4-5H2,1-3H3.
What are the key properties of 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol?
2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol has a molecular weight of 152.24 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylbicyclo[3.1.1]hept-2-en-3-ol is sourced from PubChem (CID 67300713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).