spiro[bicyclo[2.2.2]octane-2,3'-oxetane]

C10H16O — CID 22677093

IUPACspiro[bicyclo[2.2.2]octane-2,3'-oxetane]
SMILESC1CC2CCC1CC21COC1
InChIInChI=1S/C10H16O/c1-3-9-4-2-8(1)5-10(9)6-11-7-10/h8-9H,1-7H2
InChIKeyJQIUXBSYPZSDIU-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.21
Rot. Bonds

About spiro[bicyclo[2.2.2]octane-2,3'-oxetane]

spiro[bicyclo[2.2.2]octane-2,3'-oxetane] (PubChem CID 22677093) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is spiro[bicyclo[2.2.2]octane-2,3'-oxetane].

Molecular Properties

Compound Namespiro[bicyclo[2.2.2]octane-2,3'-oxetane]
PubChem CID22677093
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Namespiro[bicyclo[2.2.2]octane-2,3'-oxetane]
SMILESC1CC2CCC1CC21COC1
InChIInChI=1S/C10H16O/c1-3-9-4-2-8(1)5-10(9)6-11-7-10/h8-9H,1-7H2
InChIKeyJQIUXBSYPZSDIU-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze spiro[bicyclo[2.2.2]octane-2,3'-oxetane] 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 spiro[bicyclo[2.2.2]octane-2,3'-oxetane]?
The IUPAC name of spiro[bicyclo[2.2.2]octane-2,3'-oxetane] (CID 22677093) is spiro[bicyclo[2.2.2]octane-2,3'-oxetane].
What is the SMILES notation for spiro[bicyclo[2.2.2]octane-2,3'-oxetane]?
The canonical SMILES for spiro[bicyclo[2.2.2]octane-2,3'-oxetane] is C1CC2CCC1CC21COC1.
What is the InChIKey of spiro[bicyclo[2.2.2]octane-2,3'-oxetane]?
The InChIKey is JQIUXBSYPZSDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-9-4-2-8(1)5-10(9)6-11-7-10/h8-9H,1-7H2.
What are the key properties of spiro[bicyclo[2.2.2]octane-2,3'-oxetane]?
spiro[bicyclo[2.2.2]octane-2,3'-oxetane] has a molecular weight of 152.24 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.2]octane-2,3'-oxetane] is sourced from PubChem (CID 22677093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).