1-chloro-2-ethyl-3,4-dimethylcyclobutane

C8H15Cl — CID 174674861

IUPAC1-chloro-2-ethyl-3,4-dimethylcyclobutane
SMILESCCC1C(C)C(C)C1Cl
InChIInChI=1S/C8H15Cl/c1-4-7-5(2)6(3)8(7)9/h5-8H,4H2,1-3H3
InChIKeyUWEYLNFCJIZHEE-UHFFFAOYSA-N
MW146.66 g/mol
LogP2.91
Rot. Bonds1

About 1-chloro-2-ethyl-3,4-dimethylcyclobutane

1-chloro-2-ethyl-3,4-dimethylcyclobutane (PubChem CID 174674861) has the molecular formula C8H15Cl and a molecular weight of 146.66 g/mol. Its IUPAC name is 1-chloro-2-ethyl-3,4-dimethylcyclobutane.

Molecular Properties

Compound Name1-chloro-2-ethyl-3,4-dimethylcyclobutane
PubChem CID174674861
Molecular FormulaC8H15Cl
Molecular Weight146.66 g/mol
Exact Mass146.09
IUPAC Name1-chloro-2-ethyl-3,4-dimethylcyclobutane
SMILESCCC1C(C)C(C)C1Cl
InChIInChI=1S/C8H15Cl/c1-4-7-5(2)6(3)8(7)9/h5-8H,4H2,1-3H3
InChIKeyUWEYLNFCJIZHEE-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.66
LogP ≤ 52.91
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-2-ethyl-3,4-dimethylcyclobutane?
The IUPAC name of 1-chloro-2-ethyl-3,4-dimethylcyclobutane (CID 174674861) is 1-chloro-2-ethyl-3,4-dimethylcyclobutane.
What is the SMILES notation for 1-chloro-2-ethyl-3,4-dimethylcyclobutane?
The canonical SMILES for 1-chloro-2-ethyl-3,4-dimethylcyclobutane is CCC1C(C)C(C)C1Cl.
What is the InChIKey of 1-chloro-2-ethyl-3,4-dimethylcyclobutane?
The InChIKey is UWEYLNFCJIZHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl/c1-4-7-5(2)6(3)8(7)9/h5-8H,4H2,1-3H3.
What are the key properties of 1-chloro-2-ethyl-3,4-dimethylcyclobutane?
1-chloro-2-ethyl-3,4-dimethylcyclobutane has a molecular weight of 146.66 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethyl-3,4-dimethylcyclobutane is sourced from PubChem (CID 174674861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).