ethyl 3-(2-methylcyclopentyl)propanoate

C11H20O2 — CID 21041510

IUPACethyl 3-(2-methylcyclopentyl)propanoate
SMILESCCOC(=O)CCC1CCCC1C
InChIInChI=1S/C11H20O2/c1-3-13-11(12)8-7-10-6-4-5-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyJPYQHUOPQAHZJA-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.77
Rot. Bonds4

About ethyl 3-(2-methylcyclopentyl)propanoate

ethyl 3-(2-methylcyclopentyl)propanoate (PubChem CID 21041510) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is ethyl 3-(2-methylcyclopentyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-methylcyclopentyl)propanoate
PubChem CID21041510
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Nameethyl 3-(2-methylcyclopentyl)propanoate
SMILESCCOC(=O)CCC1CCCC1C
InChIInChI=1S/C11H20O2/c1-3-13-11(12)8-7-10-6-4-5-9(10)2/h9-10H,3-8H2,1-2H3
InChIKeyJPYQHUOPQAHZJA-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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Related Compounds

3-Methylbutyl octanoate
CID 16255
Isoamyl decanoate
CID 75320
Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
2-Methylbutyl octanoate
CID 530406
2-Methylbutyl decanoate
CID 3017826
alpha-Hexyl-gamma-butyrolactone
CID 86736
2-Ethylhexyl stearate
CID 13132266
Isoamyl nonanoate
CID 522676
Ethylhexyl Palmitate
CID 62851
Dodecanoic acid, 2-ethylhexyl ester
CID 89309
Dihydronepetalactone
CID 519465

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methylcyclopentyl)propanoate?
The IUPAC name of ethyl 3-(2-methylcyclopentyl)propanoate (CID 21041510) is ethyl 3-(2-methylcyclopentyl)propanoate.
What is the SMILES notation for ethyl 3-(2-methylcyclopentyl)propanoate?
The canonical SMILES for ethyl 3-(2-methylcyclopentyl)propanoate is CCOC(=O)CCC1CCCC1C.
What is the InChIKey of ethyl 3-(2-methylcyclopentyl)propanoate?
The InChIKey is JPYQHUOPQAHZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-13-11(12)8-7-10-6-4-5-9(10)2/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 3-(2-methylcyclopentyl)propanoate?
ethyl 3-(2-methylcyclopentyl)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 ethyl 3-(2-methylcyclopentyl)propanoate is sourced from PubChem (CID 21041510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).