1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane

C10H19ClO3 — CID 104675598

IUPAC1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane
SMILESCCOCCOC1CC(Cl)C1OCC
InChIInChI=1S/C10H19ClO3/c1-3-12-5-6-14-9-7-8(11)10(9)13-4-2/h8-10H,3-7H2,1-2H3
InChIKeyPATFRFXNMQEXBZ-UHFFFAOYSA-N
MW222.71 g/mol
LogP1.82
Rot. Bonds7

About 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane

1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane (PubChem CID 104675598) has the molecular formula C10H19ClO3 and a molecular weight of 222.71 g/mol. Its IUPAC name is 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane.

Molecular Properties

Compound Name1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane
PubChem CID104675598
Molecular FormulaC10H19ClO3
Molecular Weight222.71 g/mol
Exact Mass222.10
IUPAC Name1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane
SMILESCCOCCOC1CC(Cl)C1OCC
InChIInChI=1S/C10H19ClO3/c1-3-12-5-6-14-9-7-8(11)10(9)13-4-2/h8-10H,3-7H2,1-2H3
InChIKeyPATFRFXNMQEXBZ-UHFFFAOYSA-N
XLogP1.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.71
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane?
The IUPAC name of 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane (CID 104675598) is 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane.
What is the SMILES notation for 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane?
The canonical SMILES for 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane is CCOCCOC1CC(Cl)C1OCC.
What is the InChIKey of 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane?
The InChIKey is PATFRFXNMQEXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClO3/c1-3-12-5-6-14-9-7-8(11)10(9)13-4-2/h8-10H,3-7H2,1-2H3.
What are the key properties of 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane?
1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane has a molecular weight of 222.71 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethoxy-3-(2-ethoxyethoxy)cyclobutane is sourced from PubChem (CID 104675598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).