ethyl 2-cyclopent-2-en-1-ylpent-4-enoate

C12H18O2 — CID 21149607

IUPACethyl 2-cyclopent-2-en-1-ylpent-4-enoate
SMILESC=CCC(C(=O)OCC)C1C=CCC1
InChIInChI=1S/C12H18O2/c1-3-7-11(12(13)14-4-2)10-8-5-6-9-10/h3,5,8,10-11H,1,4,6-7,9H2,2H3
InChIKeyLLGQUDIFQHRDGK-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.71
Rot. Bonds5

About ethyl 2-cyclopent-2-en-1-ylpent-4-enoate

ethyl 2-cyclopent-2-en-1-ylpent-4-enoate (PubChem CID 21149607) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethyl 2-cyclopent-2-en-1-ylpent-4-enoate.

Molecular Properties

Compound Nameethyl 2-cyclopent-2-en-1-ylpent-4-enoate
PubChem CID21149607
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethyl 2-cyclopent-2-en-1-ylpent-4-enoate
SMILESC=CCC(C(=O)OCC)C1C=CCC1
InChIInChI=1S/C12H18O2/c1-3-7-11(12(13)14-4-2)10-8-5-6-9-10/h3,5,8,10-11H,1,4,6-7,9H2,2H3
InChIKeyLLGQUDIFQHRDGK-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopent-2-en-1-ylpent-4-enoate?
The IUPAC name of ethyl 2-cyclopent-2-en-1-ylpent-4-enoate (CID 21149607) is ethyl 2-cyclopent-2-en-1-ylpent-4-enoate.
What is the SMILES notation for ethyl 2-cyclopent-2-en-1-ylpent-4-enoate?
The canonical SMILES for ethyl 2-cyclopent-2-en-1-ylpent-4-enoate is C=CCC(C(=O)OCC)C1C=CCC1.
What is the InChIKey of ethyl 2-cyclopent-2-en-1-ylpent-4-enoate?
The InChIKey is LLGQUDIFQHRDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-7-11(12(13)14-4-2)10-8-5-6-9-10/h3,5,8,10-11H,1,4,6-7,9H2,2H3.
What are the key properties of ethyl 2-cyclopent-2-en-1-ylpent-4-enoate?
ethyl 2-cyclopent-2-en-1-ylpent-4-enoate has a molecular weight of 194.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopent-2-en-1-ylpent-4-enoate is sourced from PubChem (CID 21149607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).