1-ethoxy-1-methylcyclobutane

C7H14O — CID 547303

IUPAC1-ethoxy-1-methylcyclobutane
SMILESCCOC1(C)CCC1
InChIInChI=1S/C7H14O/c1-3-8-7(2)5-4-6-7/h3-6H2,1-2H3
InChIKeyVBPWEPMJEXCFKA-UHFFFAOYSA-N
MW114.19 g/mol
LogP1.97
Rot. Bonds2

About 1-ethoxy-1-methylcyclobutane

1-ethoxy-1-methylcyclobutane (PubChem CID 547303) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is 1-ethoxy-1-methylcyclobutane.

Molecular Properties

Compound Name1-ethoxy-1-methylcyclobutane
PubChem CID547303
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Name1-ethoxy-1-methylcyclobutane
SMILESCCOC1(C)CCC1
InChIInChI=1S/C7H14O/c1-3-8-7(2)5-4-6-7/h3-6H2,1-2H3
InChIKeyVBPWEPMJEXCFKA-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1-methylcyclobutane?
The IUPAC name of 1-ethoxy-1-methylcyclobutane (CID 547303) is 1-ethoxy-1-methylcyclobutane.
What is the SMILES notation for 1-ethoxy-1-methylcyclobutane?
The canonical SMILES for 1-ethoxy-1-methylcyclobutane is CCOC1(C)CCC1.
What is the InChIKey of 1-ethoxy-1-methylcyclobutane?
The InChIKey is VBPWEPMJEXCFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O/c1-3-8-7(2)5-4-6-7/h3-6H2,1-2H3.
What are the key properties of 1-ethoxy-1-methylcyclobutane?
1-ethoxy-1-methylcyclobutane has a molecular weight of 114.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1-methylcyclobutane is sourced from PubChem (CID 547303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).