1,2-dimethoxycyclobutane

C6H12O2 — CID 54455096

IUPAC1,2-dimethoxycyclobutane
SMILESCOC1CCC1OC
InChIInChI=1S/C6H12O2/c1-7-5-3-4-6(5)8-2/h5-6H,3-4H2,1-2H3
InChIKeyWXQSINWZOHEUHN-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds2

About 1,2-dimethoxycyclobutane

1,2-dimethoxycyclobutane (PubChem CID 54455096) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1,2-dimethoxycyclobutane.

Molecular Properties

Compound Name1,2-dimethoxycyclobutane
PubChem CID54455096
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1,2-dimethoxycyclobutane
SMILESCOC1CCC1OC
InChIInChI=1S/C6H12O2/c1-7-5-3-4-6(5)8-2/h5-6H,3-4H2,1-2H3
InChIKeyWXQSINWZOHEUHN-UHFFFAOYSA-N
XLogP0.81
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxycyclobutane?
The IUPAC name of 1,2-dimethoxycyclobutane (CID 54455096) is 1,2-dimethoxycyclobutane.
What is the SMILES notation for 1,2-dimethoxycyclobutane?
The canonical SMILES for 1,2-dimethoxycyclobutane is COC1CCC1OC.
What is the InChIKey of 1,2-dimethoxycyclobutane?
The InChIKey is WXQSINWZOHEUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-7-5-3-4-6(5)8-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,2-dimethoxycyclobutane?
1,2-dimethoxycyclobutane has a molecular weight of 116.16 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxycyclobutane is sourced from PubChem (CID 54455096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).