cyclobutylcyclobutane

C8H14 — CID 548945

IUPACcyclobutylcyclobutane
SMILESC1CC(C2CCC2)C1
InChIInChI=1S/C8H14/c1-3-7(4-1)8-5-2-6-8/h7-8H,1-6H2
InChIKeyDENCHDMOLAALHN-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.59
Rot. Bonds1

About cyclobutylcyclobutane

cyclobutylcyclobutane (PubChem CID 548945) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is cyclobutylcyclobutane.

Molecular Properties

Compound Namecyclobutylcyclobutane
PubChem CID548945
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Namecyclobutylcyclobutane
SMILESC1CC(C2CCC2)C1
InChIInChI=1S/C8H14/c1-3-7(4-1)8-5-2-6-8/h7-8H,1-6H2
InChIKeyDENCHDMOLAALHN-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclobutylcyclobutane?
The IUPAC name of cyclobutylcyclobutane (CID 548945) is cyclobutylcyclobutane.
What is the SMILES notation for cyclobutylcyclobutane?
The canonical SMILES for cyclobutylcyclobutane is C1CC(C2CCC2)C1.
What is the InChIKey of cyclobutylcyclobutane?
The InChIKey is DENCHDMOLAALHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-3-7(4-1)8-5-2-6-8/h7-8H,1-6H2.
What are the key properties of cyclobutylcyclobutane?
cyclobutylcyclobutane has a molecular weight of 110.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylcyclobutane is sourced from PubChem (CID 548945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).