2-methoxyethyl 3-cyclopentylpropanoate

C11H20O3 — CID 91693894

IUPAC2-methoxyethyl 3-cyclopentylpropanoate
SMILESCOCCOC(=O)CCC1CCCC1
InChIInChI=1S/C11H20O3/c1-13-8-9-14-11(12)7-6-10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeyYUDDEFFPZOCWJF-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.15
Rot. Bonds6

About 2-methoxyethyl 3-cyclopentylpropanoate

2-methoxyethyl 3-cyclopentylpropanoate (PubChem CID 91693894) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-methoxyethyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-cyclopentylpropanoate
PubChem CID91693894
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2-methoxyethyl 3-cyclopentylpropanoate
SMILESCOCCOC(=O)CCC1CCCC1
InChIInChI=1S/C11H20O3/c1-13-8-9-14-11(12)7-6-10-4-2-3-5-10/h10H,2-9H2,1H3
InChIKeyYUDDEFFPZOCWJF-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl cyclohexanoate
CID 18686
3-Methylbutyl octanoate
CID 16255
Isoamyl decanoate
CID 75320
Bis(2-ethylhexyl) azelate
CID 7642
Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
2-Methylbutyl octanoate
CID 530406
2-Methylbutyl decanoate
CID 3017826
Di-2-ethylhexyl sebacate
CID 31218
alpha-Hexyl-gamma-butyrolactone
CID 86736
Cetearyl Ethylhexanoate
CID 42956
2-Ethylhexyl stearate
CID 13132266

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-cyclopentylpropanoate?
The IUPAC name of 2-methoxyethyl 3-cyclopentylpropanoate (CID 91693894) is 2-methoxyethyl 3-cyclopentylpropanoate.
What is the SMILES notation for 2-methoxyethyl 3-cyclopentylpropanoate?
The canonical SMILES for 2-methoxyethyl 3-cyclopentylpropanoate is COCCOC(=O)CCC1CCCC1.
What is the InChIKey of 2-methoxyethyl 3-cyclopentylpropanoate?
The InChIKey is YUDDEFFPZOCWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-13-8-9-14-11(12)7-6-10-4-2-3-5-10/h10H,2-9H2,1H3.
What are the key properties of 2-methoxyethyl 3-cyclopentylpropanoate?
2-methoxyethyl 3-cyclopentylpropanoate has a molecular weight of 200.28 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-cyclopentylpropanoate is sourced from PubChem (CID 91693894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).