ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate

C11H18O2 — CID 134859241

IUPACethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1(C)C=CCC1(C)C
InChIInChI=1S/C11H18O2/c1-5-13-9(12)11(4)8-6-7-10(11,2)3/h6,8H,5,7H2,1-4H3
InChIKeyFYMUBORCGPAXGC-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds2

About ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate

ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate (PubChem CID 134859241) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate
PubChem CID134859241
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate
SMILESCCOC(=O)C1(C)C=CCC1(C)C
InChIInChI=1S/C11H18O2/c1-5-13-9(12)11(4)8-6-7-10(11,2)3/h6,8H,5,7H2,1-4H3
InChIKeyFYMUBORCGPAXGC-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
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 1,5,5-trimethylcyclopent-2-ene-1-carboxylate?
The IUPAC name of ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate (CID 134859241) is ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate?
The canonical SMILES for ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate is CCOC(=O)C1(C)C=CCC1(C)C.
What is the InChIKey of ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate?
The InChIKey is FYMUBORCGPAXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-13-9(12)11(4)8-6-7-10(11,2)3/h6,8H,5,7H2,1-4H3.
What are the key properties of ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate?
ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,5,5-trimethylcyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 134859241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).