ethyl 2-(2-ethylcyclohexyl)oxyacetate

C12H22O3 — CID 43119660

IUPACethyl 2-(2-ethylcyclohexyl)oxyacetate
SMILESCCOC(=O)COC1CCCCC1CC
InChIInChI=1S/C12H22O3/c1-3-10-7-5-6-8-11(10)15-9-12(13)14-4-2/h10-11H,3-9H2,1-2H3
InChIKeyAQZSKEUAVLTPJF-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.53
Rot. Bonds5

About ethyl 2-(2-ethylcyclohexyl)oxyacetate

ethyl 2-(2-ethylcyclohexyl)oxyacetate (PubChem CID 43119660) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethyl 2-(2-ethylcyclohexyl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-ethylcyclohexyl)oxyacetate
PubChem CID43119660
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethyl 2-(2-ethylcyclohexyl)oxyacetate
SMILESCCOC(=O)COC1CCCCC1CC
InChIInChI=1S/C12H22O3/c1-3-10-7-5-6-8-11(10)15-9-12(13)14-4-2/h10-11H,3-9H2,1-2H3
InChIKeyAQZSKEUAVLTPJF-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(2-ethylcyclohexyl)oxypropanoate
CID 43365260
1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate
CID 79356654
ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
CID 63038895
2-[(2-ethylcyclohexyl)oxymethyl]prop-2-ene-1-thiol
CID 103073679
2-(2-ethylcyclohexyl)oxy-1-(oxolan-3-yl)ethanone
CID 104751674
ethyl 2-piperidin-2-yloxyacetate
CID 68921876
(2-ethylcyclohexyl) 2-aminopropanoate
CID 61277036
1-ethyl-2-hydroperoxycyclohexane
CID 175085860
2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid
CID 63074126
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376
1-[(2-ethylcyclohexyl)oxymethyl]cyclohexan-1-amine
CID 64574195

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylcyclohexyl)oxyacetate?
The IUPAC name of ethyl 2-(2-ethylcyclohexyl)oxyacetate (CID 43119660) is ethyl 2-(2-ethylcyclohexyl)oxyacetate.
What is the SMILES notation for ethyl 2-(2-ethylcyclohexyl)oxyacetate?
The canonical SMILES for ethyl 2-(2-ethylcyclohexyl)oxyacetate is CCOC(=O)COC1CCCCC1CC.
What is the InChIKey of ethyl 2-(2-ethylcyclohexyl)oxyacetate?
The InChIKey is AQZSKEUAVLTPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-3-10-7-5-6-8-11(10)15-9-12(13)14-4-2/h10-11H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(2-ethylcyclohexyl)oxyacetate?
ethyl 2-(2-ethylcyclohexyl)oxyacetate has a molecular weight of 214.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylcyclohexyl)oxyacetate is sourced from PubChem (CID 43119660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).