1-ethyl-1-(1-propoxyethenyl)cyclobutane

C11H20O — CID 118964872

IUPAC1-ethyl-1-(1-propoxyethenyl)cyclobutane
SMILESC=C(OCCC)C1(CC)CCC1
InChIInChI=1S/C11H20O/c1-4-9-12-10(3)11(5-2)7-6-8-11/h3-9H2,1-2H3
InChIKeyBFUVTHPKABIHMP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.51
Rot. Bonds5

About 1-ethyl-1-(1-propoxyethenyl)cyclobutane

1-ethyl-1-(1-propoxyethenyl)cyclobutane (PubChem CID 118964872) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-ethyl-1-(1-propoxyethenyl)cyclobutane.

Molecular Properties

Compound Name1-ethyl-1-(1-propoxyethenyl)cyclobutane
PubChem CID118964872
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-ethyl-1-(1-propoxyethenyl)cyclobutane
SMILESC=C(OCCC)C1(CC)CCC1
InChIInChI=1S/C11H20O/c1-4-9-12-10(3)11(5-2)7-6-8-11/h3-9H2,1-2H3
InChIKeyBFUVTHPKABIHMP-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(1-propoxyethenyl)cyclobutane?
The IUPAC name of 1-ethyl-1-(1-propoxyethenyl)cyclobutane (CID 118964872) is 1-ethyl-1-(1-propoxyethenyl)cyclobutane.
What is the SMILES notation for 1-ethyl-1-(1-propoxyethenyl)cyclobutane?
The canonical SMILES for 1-ethyl-1-(1-propoxyethenyl)cyclobutane is C=C(OCCC)C1(CC)CCC1.
What is the InChIKey of 1-ethyl-1-(1-propoxyethenyl)cyclobutane?
The InChIKey is BFUVTHPKABIHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-9-12-10(3)11(5-2)7-6-8-11/h3-9H2,1-2H3.
What are the key properties of 1-ethyl-1-(1-propoxyethenyl)cyclobutane?
1-ethyl-1-(1-propoxyethenyl)cyclobutane has a molecular weight of 168.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(1-propoxyethenyl)cyclobutane is sourced from PubChem (CID 118964872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).