2-ethoxyethyl 3-cyclopentylpropanoate

C12H22O3 — CID 91696206

IUPAC2-ethoxyethyl 3-cyclopentylpropanoate
SMILESCCOCCOC(=O)CCC1CCCC1
InChIInChI=1S/C12H22O3/c1-2-14-9-10-15-12(13)8-7-11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyBNHXMNLCVHHSKK-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.54
Rot. Bonds7

About 2-ethoxyethyl 3-cyclopentylpropanoate

2-ethoxyethyl 3-cyclopentylpropanoate (PubChem CID 91696206) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 2-ethoxyethyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Name2-ethoxyethyl 3-cyclopentylpropanoate
PubChem CID91696206
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name2-ethoxyethyl 3-cyclopentylpropanoate
SMILESCCOCCOC(=O)CCC1CCCC1
InChIInChI=1S/C12H22O3/c1-2-14-9-10-15-12(13)8-7-11-5-3-4-6-11/h11H,2-10H2,1H3
InChIKeyBNHXMNLCVHHSKK-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.54
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-ethoxyethyl 3-cyclopentylpropanoate?
The IUPAC name of 2-ethoxyethyl 3-cyclopentylpropanoate (CID 91696206) is 2-ethoxyethyl 3-cyclopentylpropanoate.
What is the SMILES notation for 2-ethoxyethyl 3-cyclopentylpropanoate?
The canonical SMILES for 2-ethoxyethyl 3-cyclopentylpropanoate is CCOCCOC(=O)CCC1CCCC1.
What is the InChIKey of 2-ethoxyethyl 3-cyclopentylpropanoate?
The InChIKey is BNHXMNLCVHHSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-2-14-9-10-15-12(13)8-7-11-5-3-4-6-11/h11H,2-10H2,1H3.
What are the key properties of 2-ethoxyethyl 3-cyclopentylpropanoate?
2-ethoxyethyl 3-cyclopentylpropanoate has a molecular weight of 214.30 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 3-cyclopentylpropanoate is sourced from PubChem (CID 91696206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).