2-(3-methylcyclopentyl)ethyl propanoate

C11H20O2 — CID 89085036

IUPAC2-(3-methylcyclopentyl)ethyl propanoate
SMILESCCC(=O)OCCC1CCC(C)C1
InChIInChI=1S/C11H20O2/c1-3-11(12)13-7-6-10-5-4-9(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeyHSEDOWBAAGEESN-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.77
Rot. Bonds4

About 2-(3-methylcyclopentyl)ethyl propanoate

2-(3-methylcyclopentyl)ethyl propanoate (PubChem CID 89085036) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(3-methylcyclopentyl)ethyl propanoate.

Molecular Properties

Compound Name2-(3-methylcyclopentyl)ethyl propanoate
PubChem CID89085036
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(3-methylcyclopentyl)ethyl propanoate
SMILESCCC(=O)OCCC1CCC(C)C1
InChIInChI=1S/C11H20O2/c1-3-11(12)13-7-6-10-5-4-9(2)8-10/h9-10H,3-8H2,1-2H3
InChIKeyHSEDOWBAAGEESN-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclopentyl)ethyl propanoate?
The IUPAC name of 2-(3-methylcyclopentyl)ethyl propanoate (CID 89085036) is 2-(3-methylcyclopentyl)ethyl propanoate.
What is the SMILES notation for 2-(3-methylcyclopentyl)ethyl propanoate?
The canonical SMILES for 2-(3-methylcyclopentyl)ethyl propanoate is CCC(=O)OCCC1CCC(C)C1.
What is the InChIKey of 2-(3-methylcyclopentyl)ethyl propanoate?
The InChIKey is HSEDOWBAAGEESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-11(12)13-7-6-10-5-4-9(2)8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(3-methylcyclopentyl)ethyl propanoate?
2-(3-methylcyclopentyl)ethyl propanoate has a molecular weight of 184.28 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclopentyl)ethyl propanoate is sourced from PubChem (CID 89085036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).