ethyl 2-chloro-2-cyclopentylacetate

C9H15ClO2 — CID 62225473

IUPACethyl 2-chloro-2-cyclopentylacetate
SMILESCCOC(=O)C(Cl)C1CCCC1
InChIInChI=1S/C9H15ClO2/c1-2-12-9(11)8(10)7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyVDLPZWSFTNKEPF-UHFFFAOYSA-N
MW190.67 g/mol
LogP2.35
Rot. Bonds3

About ethyl 2-chloro-2-cyclopentylacetate

ethyl 2-chloro-2-cyclopentylacetate (PubChem CID 62225473) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is ethyl 2-chloro-2-cyclopentylacetate.

Molecular Properties

Compound Nameethyl 2-chloro-2-cyclopentylacetate
PubChem CID62225473
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Nameethyl 2-chloro-2-cyclopentylacetate
SMILESCCOC(=O)C(Cl)C1CCCC1
InChIInChI=1S/C9H15ClO2/c1-2-12-9(11)8(10)7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyVDLPZWSFTNKEPF-UHFFFAOYSA-N
XLogP2.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 52.35
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 ethyl 2-chloro-2-cyclopentylacetate?
The IUPAC name of ethyl 2-chloro-2-cyclopentylacetate (CID 62225473) is ethyl 2-chloro-2-cyclopentylacetate.
What is the SMILES notation for ethyl 2-chloro-2-cyclopentylacetate?
The canonical SMILES for ethyl 2-chloro-2-cyclopentylacetate is CCOC(=O)C(Cl)C1CCCC1.
What is the InChIKey of ethyl 2-chloro-2-cyclopentylacetate?
The InChIKey is VDLPZWSFTNKEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c1-2-12-9(11)8(10)7-5-3-4-6-7/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 2-chloro-2-cyclopentylacetate?
ethyl 2-chloro-2-cyclopentylacetate has a molecular weight of 190.67 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-2-cyclopentylacetate is sourced from PubChem (CID 62225473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).