(1-ethylcyclopentyl) but-2-enoate

C11H18O2 — CID 150371556

IUPAC(1-ethylcyclopentyl) but-2-enoate
SMILESCC=CC(=O)OC1(CC)CCCC1
InChIInChI=1S/C11H18O2/c1-3-7-10(12)13-11(4-2)8-5-6-9-11/h3,7H,4-6,8-9H2,1-2H3
InChIKeyGXVIRCQHEBZQPY-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds3

About (1-ethylcyclopentyl) but-2-enoate

(1-ethylcyclopentyl) but-2-enoate (PubChem CID 150371556) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (1-ethylcyclopentyl) but-2-enoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) but-2-enoate
PubChem CID150371556
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(1-ethylcyclopentyl) but-2-enoate
SMILESCC=CC(=O)OC1(CC)CCCC1
InChIInChI=1S/C11H18O2/c1-3-7-10(12)13-11(4-2)8-5-6-9-11/h3,7H,4-6,8-9H2,1-2H3
InChIKeyGXVIRCQHEBZQPY-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) but-2-enoate?
The IUPAC name of (1-ethylcyclopentyl) but-2-enoate (CID 150371556) is (1-ethylcyclopentyl) but-2-enoate.
What is the SMILES notation for (1-ethylcyclopentyl) but-2-enoate?
The canonical SMILES for (1-ethylcyclopentyl) but-2-enoate is CC=CC(=O)OC1(CC)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) but-2-enoate?
The InChIKey is GXVIRCQHEBZQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-7-10(12)13-11(4-2)8-5-6-9-11/h3,7H,4-6,8-9H2,1-2H3.
What are the key properties of (1-ethylcyclopentyl) but-2-enoate?
(1-ethylcyclopentyl) but-2-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) but-2-enoate is sourced from PubChem (CID 150371556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).