2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane

C12H23ClO2 — CID 66344777

IUPAC2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane
SMILESCCCOCCOC1CC(Cl)C1(C)CC
InChIInChI=1S/C12H23ClO2/c1-4-6-14-7-8-15-11-9-10(13)12(11,3)5-2/h10-11H,4-9H2,1-3H3
InChIKeyHTRVSFLYSPHXDZ-UHFFFAOYSA-N
MW234.77 g/mol
LogP3.23
Rot. Bonds7

About 2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane

2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane (PubChem CID 66344777) has the molecular formula C12H23ClO2 and a molecular weight of 234.77 g/mol. Its IUPAC name is 2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane.

Molecular Properties

Compound Name2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane
PubChem CID66344777
Molecular FormulaC12H23ClO2
Molecular Weight234.77 g/mol
Exact Mass234.14
IUPAC Name2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane
SMILESCCCOCCOC1CC(Cl)C1(C)CC
InChIInChI=1S/C12H23ClO2/c1-4-6-14-7-8-15-11-9-10(13)12(11,3)5-2/h10-11H,4-9H2,1-3H3
InChIKeyHTRVSFLYSPHXDZ-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 53.23
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-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane?
The IUPAC name of 2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane (CID 66344777) is 2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane.
What is the SMILES notation for 2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane?
The canonical SMILES for 2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane is CCCOCCOC1CC(Cl)C1(C)CC.
What is the InChIKey of 2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane?
The InChIKey is HTRVSFLYSPHXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClO2/c1-4-6-14-7-8-15-11-9-10(13)12(11,3)5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of 2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane?
2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane has a molecular weight of 234.77 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethyl-1-methyl-4-(2-propoxyethoxy)cyclobutane is sourced from PubChem (CID 66344777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).