tert-butylcyclobutane

C8H16 — CID 18618975

IUPACtert-butylcyclobutane
SMILESCC(C)(C)C1CCC1
InChIInChI=1S/C8H16/c1-8(2,3)7-5-4-6-7/h7H,4-6H2,1-3H3
InChIKeyBONXXHJNJLHEDZ-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.83
Rot. Bonds

About tert-butylcyclobutane

tert-butylcyclobutane (PubChem CID 18618975) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is tert-butylcyclobutane.

Molecular Properties

Compound Nametert-butylcyclobutane
PubChem CID18618975
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Nametert-butylcyclobutane
SMILESCC(C)(C)C1CCC1
InChIInChI=1S/C8H16/c1-8(2,3)7-5-4-6-7/h7H,4-6H2,1-3H3
InChIKeyBONXXHJNJLHEDZ-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tert-butylcyclobutane?
The IUPAC name of tert-butylcyclobutane (CID 18618975) is tert-butylcyclobutane.
What is the SMILES notation for tert-butylcyclobutane?
The canonical SMILES for tert-butylcyclobutane is CC(C)(C)C1CCC1.
What is the InChIKey of tert-butylcyclobutane?
The InChIKey is BONXXHJNJLHEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16/c1-8(2,3)7-5-4-6-7/h7H,4-6H2,1-3H3.
What are the key properties of tert-butylcyclobutane?
tert-butylcyclobutane has a molecular weight of 112.22 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylcyclobutane is sourced from PubChem (CID 18618975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).