ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate

C11H18O2 — CID 58281404

IUPACethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(CC)CC=C(C)C1
InChIInChI=1S/C11H18O2/c1-4-11(10(12)13-5-2)7-6-9(3)8-11/h6H,4-5,7-8H2,1-3H3
InChIKeyVQOWXKJJTLVACW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.69
Rot. Bonds3

About ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate

ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate (PubChem CID 58281404) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate
PubChem CID58281404
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(CC)CC=C(C)C1
InChIInChI=1S/C11H18O2/c1-4-11(10(12)13-5-2)7-6-9(3)8-11/h6H,4-5,7-8H2,1-3H3
InChIKeyVQOWXKJJTLVACW-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
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 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate?
The IUPAC name of ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate (CID 58281404) is ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate is CCOC(=O)C1(CC)CC=C(C)C1.
What is the InChIKey of ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate?
The InChIKey is VQOWXKJJTLVACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-11(10(12)13-5-2)7-6-9(3)8-11/h6H,4-5,7-8H2,1-3H3.
What are the key properties of ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate?
ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-3-methylcyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 58281404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).