2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane

C14H27ClO2 — CID 66344696

IUPAC2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane
SMILESCCCCOCCOC1CC(Cl)C1(CC)CC
InChIInChI=1S/C14H27ClO2/c1-4-7-8-16-9-10-17-13-11-12(15)14(13,5-2)6-3/h12-13H,4-11H2,1-3H3
InChIKeyQNHDXFGKMGURAG-UHFFFAOYSA-N
MW262.82 g/mol
LogP4.01
Rot. Bonds9

About 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane

2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane (PubChem CID 66344696) has the molecular formula C14H27ClO2 and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane.

Molecular Properties

Compound Name2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane
PubChem CID66344696
Molecular FormulaC14H27ClO2
Molecular Weight262.82 g/mol
Exact Mass262.17
IUPAC Name2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane
SMILESCCCCOCCOC1CC(Cl)C1(CC)CC
InChIInChI=1S/C14H27ClO2/c1-4-7-8-16-9-10-17-13-11-12(15)14(13,5-2)6-3/h12-13H,4-11H2,1-3H3
InChIKeyQNHDXFGKMGURAG-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane?
The IUPAC name of 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane (CID 66344696) is 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane.
What is the SMILES notation for 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane?
The canonical SMILES for 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane is CCCCOCCOC1CC(Cl)C1(CC)CC.
What is the InChIKey of 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane?
The InChIKey is QNHDXFGKMGURAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO2/c1-4-7-8-16-9-10-17-13-11-12(15)14(13,5-2)6-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane?
2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane has a molecular weight of 262.82 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)-4-chloro-1,1-diethylcyclobutane is sourced from PubChem (CID 66344696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).