methyl 3-(2-ethoxycyclopentyl)propanoate

C11H20O3 — CID 12812364

IUPACmethyl 3-(2-ethoxycyclopentyl)propanoate
SMILESCCOC1CCCC1CCC(=O)OC
InChIInChI=1S/C11H20O3/c1-3-14-10-6-4-5-9(10)7-8-11(12)13-2/h9-10H,3-8H2,1-2H3
InChIKeyLYUNRHFYUDHVEV-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.14
Rot. Bonds5

About methyl 3-(2-ethoxycyclopentyl)propanoate

methyl 3-(2-ethoxycyclopentyl)propanoate (PubChem CID 12812364) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-(2-ethoxycyclopentyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethoxycyclopentyl)propanoate
PubChem CID12812364
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 3-(2-ethoxycyclopentyl)propanoate
SMILESCCOC1CCCC1CCC(=O)OC
InChIInChI=1S/C11H20O3/c1-3-14-10-6-4-5-9(10)7-8-11(12)13-2/h9-10H,3-8H2,1-2H3
InChIKeyLYUNRHFYUDHVEV-UHFFFAOYSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-(Oxolan-2-yl)ethyl]decanoic acid
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4s,6s-Dimethyl-7s-acetoxy-3-nonanone
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CID 114450461
3-(1,4-Dioxaspiro[4.4]non-6-yl)propionic acid methyl ester
CID 10798675
[1-[4-Oxo-4-(1,1,1-trifluoropropan-2-yloxy)butyl]cyclopentyl] 2-methylbutanoate
CID 58559999
Ethyl 2-ethyl-4-fluorooxycyclopentane-1-carboxylate
CID 166968041
3-Cyclopentylpropionic acid, 4-hexadecyl ester
CID 530507
Cyclohexanecarboxylic acid, 4-methoxy-, propyl ester
CID 91695741

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethoxycyclopentyl)propanoate?
The IUPAC name of methyl 3-(2-ethoxycyclopentyl)propanoate (CID 12812364) is methyl 3-(2-ethoxycyclopentyl)propanoate.
What is the SMILES notation for methyl 3-(2-ethoxycyclopentyl)propanoate?
The canonical SMILES for methyl 3-(2-ethoxycyclopentyl)propanoate is CCOC1CCCC1CCC(=O)OC.
What is the InChIKey of methyl 3-(2-ethoxycyclopentyl)propanoate?
The InChIKey is LYUNRHFYUDHVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-3-14-10-6-4-5-9(10)7-8-11(12)13-2/h9-10H,3-8H2,1-2H3.
What are the key properties of methyl 3-(2-ethoxycyclopentyl)propanoate?
methyl 3-(2-ethoxycyclopentyl)propanoate has a molecular weight of 200.28 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethoxycyclopentyl)propanoate is sourced from PubChem (CID 12812364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).