1-(cyclopenten-1-yl)ethyl acetate

C9H14O2 — CID 12815447

IUPAC1-(cyclopenten-1-yl)ethyl acetate
SMILESCC(=O)OC(C)C1=CCCC1
InChIInChI=1S/C9H14O2/c1-7(11-8(2)10)9-5-3-4-6-9/h5,7H,3-4,6H2,1-2H3
InChIKeySBBQJJXVANCPMN-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About 1-(cyclopenten-1-yl)ethyl acetate

1-(cyclopenten-1-yl)ethyl acetate (PubChem CID 12815447) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)ethyl acetate.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)ethyl acetate
PubChem CID12815447
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(cyclopenten-1-yl)ethyl acetate
SMILESCC(=O)OC(C)C1=CCCC1
InChIInChI=1S/C9H14O2/c1-7(11-8(2)10)9-5-3-4-6-9/h5,7H,3-4,6H2,1-2H3
InChIKeySBBQJJXVANCPMN-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.05
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 1-(cyclopenten-1-yl)ethyl acetate?
The IUPAC name of 1-(cyclopenten-1-yl)ethyl acetate (CID 12815447) is 1-(cyclopenten-1-yl)ethyl acetate.
What is the SMILES notation for 1-(cyclopenten-1-yl)ethyl acetate?
The canonical SMILES for 1-(cyclopenten-1-yl)ethyl acetate is CC(=O)OC(C)C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)ethyl acetate?
The InChIKey is SBBQJJXVANCPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(11-8(2)10)9-5-3-4-6-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-(cyclopenten-1-yl)ethyl acetate?
1-(cyclopenten-1-yl)ethyl acetate has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)ethyl acetate is sourced from PubChem (CID 12815447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).