1-chloro-3-ethylcyclobutane

C6H11Cl — CID 57207865

IUPAC1-chloro-3-ethylcyclobutane
SMILESCCC1CC(Cl)C1
InChIInChI=1S/C6H11Cl/c1-2-5-3-6(7)4-5/h5-6H,2-4H2,1H3
InChIKeyDLHAUHFCDOZNTE-UHFFFAOYSA-N
MW118.61 g/mol
LogP2.41
Rot. Bonds1

About 1-chloro-3-ethylcyclobutane

1-chloro-3-ethylcyclobutane (PubChem CID 57207865) has the molecular formula C6H11Cl and a molecular weight of 118.61 g/mol. Its IUPAC name is 1-chloro-3-ethylcyclobutane.

Molecular Properties

Compound Name1-chloro-3-ethylcyclobutane
PubChem CID57207865
Molecular FormulaC6H11Cl
Molecular Weight118.61 g/mol
Exact Mass118.05
IUPAC Name1-chloro-3-ethylcyclobutane
SMILESCCC1CC(Cl)C1
InChIInChI=1S/C6H11Cl/c1-2-5-3-6(7)4-5/h5-6H,2-4H2,1H3
InChIKeyDLHAUHFCDOZNTE-UHFFFAOYSA-N
XLogP2.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.61
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethylcyclobutane?
The IUPAC name of 1-chloro-3-ethylcyclobutane (CID 57207865) is 1-chloro-3-ethylcyclobutane.
What is the SMILES notation for 1-chloro-3-ethylcyclobutane?
The canonical SMILES for 1-chloro-3-ethylcyclobutane is CCC1CC(Cl)C1.
What is the InChIKey of 1-chloro-3-ethylcyclobutane?
The InChIKey is DLHAUHFCDOZNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl/c1-2-5-3-6(7)4-5/h5-6H,2-4H2,1H3.
What are the key properties of 1-chloro-3-ethylcyclobutane?
1-chloro-3-ethylcyclobutane has a molecular weight of 118.61 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethylcyclobutane is sourced from PubChem (CID 57207865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).