2-chloro-3-ethoxy-2-methylcyclobutan-1-one

C7H11ClO2 — CID 130038321

IUPAC2-chloro-3-ethoxy-2-methylcyclobutan-1-one
SMILESCCOC1CC(=O)C1(C)Cl
InChIInChI=1S/C7H11ClO2/c1-3-10-6-4-5(9)7(6,2)8/h6H,3-4H2,1-2H3
InChIKeyKBTPQGOXIHHDPU-UHFFFAOYSA-N
MW162.62 g/mol
LogP1.36
Rot. Bonds2

About 2-chloro-3-ethoxy-2-methylcyclobutan-1-one

2-chloro-3-ethoxy-2-methylcyclobutan-1-one (PubChem CID 130038321) has the molecular formula C7H11ClO2 and a molecular weight of 162.62 g/mol. Its IUPAC name is 2-chloro-3-ethoxy-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name2-chloro-3-ethoxy-2-methylcyclobutan-1-one
PubChem CID130038321
Molecular FormulaC7H11ClO2
Molecular Weight162.62 g/mol
Exact Mass162.04
IUPAC Name2-chloro-3-ethoxy-2-methylcyclobutan-1-one
SMILESCCOC1CC(=O)C1(C)Cl
InChIInChI=1S/C7H11ClO2/c1-3-10-6-4-5(9)7(6,2)8/h6H,3-4H2,1-2H3
InChIKeyKBTPQGOXIHHDPU-UHFFFAOYSA-N
XLogP1.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-chloro-3-ethoxy-2-methylcyclobutan-1-one?
The IUPAC name of 2-chloro-3-ethoxy-2-methylcyclobutan-1-one (CID 130038321) is 2-chloro-3-ethoxy-2-methylcyclobutan-1-one.
What is the SMILES notation for 2-chloro-3-ethoxy-2-methylcyclobutan-1-one?
The canonical SMILES for 2-chloro-3-ethoxy-2-methylcyclobutan-1-one is CCOC1CC(=O)C1(C)Cl.
What is the InChIKey of 2-chloro-3-ethoxy-2-methylcyclobutan-1-one?
The InChIKey is KBTPQGOXIHHDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2/c1-3-10-6-4-5(9)7(6,2)8/h6H,3-4H2,1-2H3.
What are the key properties of 2-chloro-3-ethoxy-2-methylcyclobutan-1-one?
2-chloro-3-ethoxy-2-methylcyclobutan-1-one has a molecular weight of 162.62 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethoxy-2-methylcyclobutan-1-one is sourced from PubChem (CID 130038321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).