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

C9H17ClO3 — CID 104675611

IUPAC1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane
SMILESCCOC1C(Cl)CC1OCCOC
InChIInChI=1S/C9H17ClO3/c1-3-12-9-7(10)6-8(9)13-5-4-11-2/h7-9H,3-6H2,1-2H3
InChIKeyJCJROFGMRSMRHT-UHFFFAOYSA-N
MW208.68 g/mol
LogP1.43
Rot. Bonds6

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

1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane (PubChem CID 104675611) has the molecular formula C9H17ClO3 and a molecular weight of 208.68 g/mol. Its IUPAC name is 1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane.

Molecular Properties

Compound Name1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane
PubChem CID104675611
Molecular FormulaC9H17ClO3
Molecular Weight208.68 g/mol
Exact Mass208.09
IUPAC Name1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane
SMILESCCOC1C(Cl)CC1OCCOC
InChIInChI=1S/C9H17ClO3/c1-3-12-9-7(10)6-8(9)13-5-4-11-2/h7-9H,3-6H2,1-2H3
InChIKeyJCJROFGMRSMRHT-UHFFFAOYSA-N
XLogP1.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.68
LogP ≤ 51.43
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-methoxyethoxy)cyclobutane?
The IUPAC name of 1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane (CID 104675611) is 1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane.
What is the SMILES notation for 1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane?
The canonical SMILES for 1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane is CCOC1C(Cl)CC1OCCOC.
What is the InChIKey of 1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane?
The InChIKey is JCJROFGMRSMRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClO3/c1-3-12-9-7(10)6-8(9)13-5-4-11-2/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane?
1-chloro-2-ethoxy-3-(2-methoxyethoxy)cyclobutane has a molecular weight of 208.68 g/mol, XLogP of 1.43, 6 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-methoxyethoxy)cyclobutane is sourced from PubChem (CID 104675611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).