ethyl 3-(1-methylcyclopentyl)pent-4-enoate

C13H22O2 — CID 89404529

IUPACethyl 3-(1-methylcyclopentyl)pent-4-enoate
SMILESC=CC(CC(=O)OCC)C1(C)CCCC1
InChIInChI=1S/C13H22O2/c1-4-11(10-12(14)15-5-2)13(3)8-6-7-9-13/h4,11H,1,5-10H2,2-3H3
InChIKeyFYNKERNRGKYQJE-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.32
Rot. Bonds5

About ethyl 3-(1-methylcyclopentyl)pent-4-enoate

ethyl 3-(1-methylcyclopentyl)pent-4-enoate (PubChem CID 89404529) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is ethyl 3-(1-methylcyclopentyl)pent-4-enoate.

Molecular Properties

Compound Nameethyl 3-(1-methylcyclopentyl)pent-4-enoate
PubChem CID89404529
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Nameethyl 3-(1-methylcyclopentyl)pent-4-enoate
SMILESC=CC(CC(=O)OCC)C1(C)CCCC1
InChIInChI=1S/C13H22O2/c1-4-11(10-12(14)15-5-2)13(3)8-6-7-9-13/h4,11H,1,5-10H2,2-3H3
InChIKeyFYNKERNRGKYQJE-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.32
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 3-(1-methylcyclopentyl)pent-4-enoate?
The IUPAC name of ethyl 3-(1-methylcyclopentyl)pent-4-enoate (CID 89404529) is ethyl 3-(1-methylcyclopentyl)pent-4-enoate.
What is the SMILES notation for ethyl 3-(1-methylcyclopentyl)pent-4-enoate?
The canonical SMILES for ethyl 3-(1-methylcyclopentyl)pent-4-enoate is C=CC(CC(=O)OCC)C1(C)CCCC1.
What is the InChIKey of ethyl 3-(1-methylcyclopentyl)pent-4-enoate?
The InChIKey is FYNKERNRGKYQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-4-11(10-12(14)15-5-2)13(3)8-6-7-9-13/h4,11H,1,5-10H2,2-3H3.
What are the key properties of ethyl 3-(1-methylcyclopentyl)pent-4-enoate?
ethyl 3-(1-methylcyclopentyl)pent-4-enoate has a molecular weight of 210.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-methylcyclopentyl)pent-4-enoate is sourced from PubChem (CID 89404529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).