(1-ethylcyclopentyl) 2-methylpentanoate

C13H24O2 — CID 70972017

IUPAC(1-ethylcyclopentyl) 2-methylpentanoate
SMILESCCCC(C)C(=O)OC1(CC)CCCC1
InChIInChI=1S/C13H24O2/c1-4-8-11(3)12(14)15-13(5-2)9-6-7-10-13/h11H,4-10H2,1-3H3
InChIKeyAAFIUQZDFJDZHF-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.69
Rot. Bonds5

About (1-ethylcyclopentyl) 2-methylpentanoate

(1-ethylcyclopentyl) 2-methylpentanoate (PubChem CID 70972017) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (1-ethylcyclopentyl) 2-methylpentanoate.

Molecular Properties

Compound Name(1-ethylcyclopentyl) 2-methylpentanoate
PubChem CID70972017
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(1-ethylcyclopentyl) 2-methylpentanoate
SMILESCCCC(C)C(=O)OC1(CC)CCCC1
InChIInChI=1S/C13H24O2/c1-4-8-11(3)12(14)15-13(5-2)9-6-7-10-13/h11H,4-10H2,1-3H3
InChIKeyAAFIUQZDFJDZHF-UHFFFAOYSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopentyl) 2-methylpentanoate?
The IUPAC name of (1-ethylcyclopentyl) 2-methylpentanoate (CID 70972017) is (1-ethylcyclopentyl) 2-methylpentanoate.
What is the SMILES notation for (1-ethylcyclopentyl) 2-methylpentanoate?
The canonical SMILES for (1-ethylcyclopentyl) 2-methylpentanoate is CCCC(C)C(=O)OC1(CC)CCCC1.
What is the InChIKey of (1-ethylcyclopentyl) 2-methylpentanoate?
The InChIKey is AAFIUQZDFJDZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-8-11(3)12(14)15-13(5-2)9-6-7-10-13/h11H,4-10H2,1-3H3.
What are the key properties of (1-ethylcyclopentyl) 2-methylpentanoate?
(1-ethylcyclopentyl) 2-methylpentanoate has a molecular weight of 212.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopentyl) 2-methylpentanoate is sourced from PubChem (CID 70972017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).