ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate

C14H24O2 — CID 54420215

IUPACethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate
SMILESCCCC(C)[C@@]1(CC(=O)OCC)C=CCC1
InChIInChI=1S/C14H24O2/c1-4-8-12(3)14(9-6-7-10-14)11-13(15)16-5-2/h6,9,12H,4-5,7-8,10-11H2,1-3H3/t12?,14-/m0/s1
InChIKeyWAGQQSGPTOLULI-PYMCNQPYSA-N
MW224.34 g/mol
LogP3.71
Rot. Bonds6

About ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate

ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate (PubChem CID 54420215) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate
PubChem CID54420215
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate
SMILESCCCC(C)[C@@]1(CC(=O)OCC)C=CCC1
InChIInChI=1S/C14H24O2/c1-4-8-12(3)14(9-6-7-10-14)11-13(15)16-5-2/h6,9,12H,4-5,7-8,10-11H2,1-3H3/t12?,14-/m0/s1
InChIKeyWAGQQSGPTOLULI-PYMCNQPYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 136861606
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate?
The IUPAC name of ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate (CID 54420215) is ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate?
The canonical SMILES for ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate is CCCC(C)[C@@]1(CC(=O)OCC)C=CCC1.
What is the InChIKey of ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate?
The InChIKey is WAGQQSGPTOLULI-PYMCNQPYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-8-12(3)14(9-6-7-10-14)11-13(15)16-5-2/h6,9,12H,4-5,7-8,10-11H2,1-3H3/t12?,14-/m0/s1.
What are the key properties of ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate?
ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate has a molecular weight of 224.34 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R)-1-pentan-2-ylcyclopent-2-en-1-yl]acetate is sourced from PubChem (CID 54420215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).