ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate

C14H24O2 — CID 54322530

IUPACethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate
SMILESCCCC(C)C1=C(CC(=O)OCC)CCC1
InChIInChI=1S/C14H24O2/c1-4-7-11(3)13-9-6-8-12(13)10-14(15)16-5-2/h11H,4-10H2,1-3H3
InChIKeySSPRGMAWBBQZFD-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.86
Rot. Bonds6

About ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate

ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate (PubChem CID 54322530) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate
PubChem CID54322530
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate
SMILESCCCC(C)C1=C(CC(=O)OCC)CCC1
InChIInChI=1S/C14H24O2/c1-4-7-11(3)13-9-6-8-12(13)10-14(15)16-5-2/h11H,4-10H2,1-3H3
InChIKeySSPRGMAWBBQZFD-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate?
The IUPAC name of ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate (CID 54322530) is ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate?
The canonical SMILES for ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate is CCCC(C)C1=C(CC(=O)OCC)CCC1.
What is the InChIKey of ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate?
The InChIKey is SSPRGMAWBBQZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-4-7-11(3)13-9-6-8-12(13)10-14(15)16-5-2/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate?
ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate has a molecular weight of 224.34 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-pentan-2-ylcyclopenten-1-yl)acetate is sourced from PubChem (CID 54322530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).