bicyclo[2.2.2]octan-1-olate

C8H13O- — CID 101218368

IUPACbicyclo[2.2.2]octan-1-olate
SMILES[O-]C12CCC(CC1)CC2
InChIInChI=1S/C8H13O/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2/q-1
InChIKeyICCVSSXRXNHDSF-UHFFFAOYSA-N
MW125.19 g/mol
LogP1.07
Rot. Bonds

About bicyclo[2.2.2]octan-1-olate

bicyclo[2.2.2]octan-1-olate (PubChem CID 101218368) has the molecular formula C8H13O- and a molecular weight of 125.19 g/mol. Its IUPAC name is bicyclo[2.2.2]octan-1-olate.

Molecular Properties

Compound Namebicyclo[2.2.2]octan-1-olate
PubChem CID101218368
Molecular FormulaC8H13O-
Molecular Weight125.19 g/mol
Exact Mass125.10
IUPAC Namebicyclo[2.2.2]octan-1-olate
SMILES[O-]C12CCC(CC1)CC2
InChIInChI=1S/C8H13O/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2/q-1
InChIKeyICCVSSXRXNHDSF-UHFFFAOYSA-N
XLogP1.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.19
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bicyclo[2.2.2]octan-1-olate 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 bicyclo[2.2.2]octan-1-olate?
The IUPAC name of bicyclo[2.2.2]octan-1-olate (CID 101218368) is bicyclo[2.2.2]octan-1-olate.
What is the SMILES notation for bicyclo[2.2.2]octan-1-olate?
The canonical SMILES for bicyclo[2.2.2]octan-1-olate is [O-]C12CCC(CC1)CC2.
What is the InChIKey of bicyclo[2.2.2]octan-1-olate?
The InChIKey is ICCVSSXRXNHDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13O/c9-8-4-1-7(2-5-8)3-6-8/h7H,1-6H2/q-1.
What are the key properties of bicyclo[2.2.2]octan-1-olate?
bicyclo[2.2.2]octan-1-olate has a molecular weight of 125.19 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]octan-1-olate is sourced from PubChem (CID 101218368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).