1,1-dimethylcyclobutane

C6H12 — CID 638049

IUPAC1,1-dimethylcyclobutane
SMILESCC1(C)CCC1
InChIInChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3
InChIKeyOFZYBEBWCZBCPM-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.20
Rot. Bonds

About 1,1-dimethylcyclobutane

1,1-dimethylcyclobutane (PubChem CID 638049) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is 1,1-dimethylcyclobutane.

Molecular Properties

Compound Name1,1-dimethylcyclobutane
PubChem CID638049
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name1,1-dimethylcyclobutane
SMILESCC1(C)CCC1
InChIInChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3
InChIKeyOFZYBEBWCZBCPM-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethylcyclobutane?
The IUPAC name of 1,1-dimethylcyclobutane (CID 638049) is 1,1-dimethylcyclobutane.
What is the SMILES notation for 1,1-dimethylcyclobutane?
The canonical SMILES for 1,1-dimethylcyclobutane is CC1(C)CCC1.
What is the InChIKey of 1,1-dimethylcyclobutane?
The InChIKey is OFZYBEBWCZBCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-6(2)4-3-5-6/h3-5H2,1-2H3.
What are the key properties of 1,1-dimethylcyclobutane?
1,1-dimethylcyclobutane has a molecular weight of 84.16 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethylcyclobutane is sourced from PubChem (CID 638049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).