1,2-dimethylcyclobutane

C6H12 — CID 519161

IUPAC1,2-dimethylcyclobutane
SMILESCC1CCC1C
InChIInChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyIVAGOJQDJFWIRT-UHFFFAOYSA-N
MW84.16 g/mol
LogP2.05
Rot. Bonds

About 1,2-dimethylcyclobutane

1,2-dimethylcyclobutane (PubChem CID 519161) has the molecular formula C6H12 and a molecular weight of 84.16 g/mol. Its IUPAC name is 1,2-dimethylcyclobutane.

Molecular Properties

Compound Name1,2-dimethylcyclobutane
PubChem CID519161
Molecular FormulaC6H12
Molecular Weight84.16 g/mol
Exact Mass84.09
IUPAC Name1,2-dimethylcyclobutane
SMILESCC1CCC1C
InChIInChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3
InChIKeyIVAGOJQDJFWIRT-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclobutane?
The IUPAC name of 1,2-dimethylcyclobutane (CID 519161) is 1,2-dimethylcyclobutane.
What is the SMILES notation for 1,2-dimethylcyclobutane?
The canonical SMILES for 1,2-dimethylcyclobutane is CC1CCC1C.
What is the InChIKey of 1,2-dimethylcyclobutane?
The InChIKey is IVAGOJQDJFWIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12/c1-5-3-4-6(5)2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethylcyclobutane?
1,2-dimethylcyclobutane has a molecular weight of 84.16 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclobutane is sourced from PubChem (CID 519161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).