ethyl 2-(2-methylidenecyclopentyl)propanoate

C11H18O2 — CID 10103812

IUPACethyl 2-(2-methylidenecyclopentyl)propanoate
SMILESC=C1CCCC1C(C)C(=O)OCC
InChIInChI=1S/C11H18O2/c1-4-13-11(12)9(3)10-7-5-6-8(10)2/h9-10H,2,4-7H2,1,3H3
InChIKeyQKLFZTCMLMTBMV-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds3

About ethyl 2-(2-methylidenecyclopentyl)propanoate

ethyl 2-(2-methylidenecyclopentyl)propanoate (PubChem CID 10103812) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-(2-methylidenecyclopentyl)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-methylidenecyclopentyl)propanoate
PubChem CID10103812
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-(2-methylidenecyclopentyl)propanoate
SMILESC=C1CCCC1C(C)C(=O)OCC
InChIInChI=1S/C11H18O2/c1-4-13-11(12)9(3)10-7-5-6-8(10)2/h9-10H,2,4-7H2,1,3H3
InChIKeyQKLFZTCMLMTBMV-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
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 2-(2-methylidenecyclopentyl)propanoate?
The IUPAC name of ethyl 2-(2-methylidenecyclopentyl)propanoate (CID 10103812) is ethyl 2-(2-methylidenecyclopentyl)propanoate.
What is the SMILES notation for ethyl 2-(2-methylidenecyclopentyl)propanoate?
The canonical SMILES for ethyl 2-(2-methylidenecyclopentyl)propanoate is C=C1CCCC1C(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(2-methylidenecyclopentyl)propanoate?
The InChIKey is QKLFZTCMLMTBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-11(12)9(3)10-7-5-6-8(10)2/h9-10H,2,4-7H2,1,3H3.
What are the key properties of ethyl 2-(2-methylidenecyclopentyl)propanoate?
ethyl 2-(2-methylidenecyclopentyl)propanoate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylidenecyclopentyl)propanoate is sourced from PubChem (CID 10103812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).