ethyl 3-(2-ethylcyclohexyl)oxypropanoate

C13H24O3 — CID 43365260

IUPACethyl 3-(2-ethylcyclohexyl)oxypropanoate
SMILESCCOC(=O)CCOC1CCCCC1CC
InChIInChI=1S/C13H24O3/c1-3-11-7-5-6-8-12(11)16-10-9-13(14)15-4-2/h11-12H,3-10H2,1-2H3
InChIKeyUKNZJNLSUXFJOZ-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.92
Rot. Bonds6

About ethyl 3-(2-ethylcyclohexyl)oxypropanoate

ethyl 3-(2-ethylcyclohexyl)oxypropanoate (PubChem CID 43365260) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl 3-(2-ethylcyclohexyl)oxypropanoate.

Molecular Properties

Compound Nameethyl 3-(2-ethylcyclohexyl)oxypropanoate
PubChem CID43365260
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl 3-(2-ethylcyclohexyl)oxypropanoate
SMILESCCOC(=O)CCOC1CCCCC1CC
InChIInChI=1S/C13H24O3/c1-3-11-7-5-6-8-12(11)16-10-9-13(14)15-4-2/h11-12H,3-10H2,1-2H3
InChIKeyUKNZJNLSUXFJOZ-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
3-(2-ethylcyclohexyl)oxypropanimidamide
CID 24694801
ethyl 4-(2-ethylcyclohexyl)oxy-2-(methylamino)butanoate
CID 63038895
2-ethoxy-4-(2-ethylcyclohexyl)oxybutanoic acid
CID 63074126
3-(2-ethylcyclohexyl)oxypropanal
CID 63041156
ethyl 2-(2-ethylcyclohexyl)oxy-2-fluoroacetate
CID 79356654
2-(ethylamino)-4-(2-ethylcyclohexyl)oxybutanamide
CID 63041537
1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
2-(cyclopropylamino)-4-(2-ethylcyclohexyl)oxybutanamide
CID 55145305
ethyl 4-[(2-ethylcyclohexyl)amino]butanoate
CID 64580465
1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438
(2-ethylcyclohexyl) 3-sulfanylpropanoate
CID 107018376

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethylcyclohexyl)oxypropanoate?
The IUPAC name of ethyl 3-(2-ethylcyclohexyl)oxypropanoate (CID 43365260) is ethyl 3-(2-ethylcyclohexyl)oxypropanoate.
What is the SMILES notation for ethyl 3-(2-ethylcyclohexyl)oxypropanoate?
The canonical SMILES for ethyl 3-(2-ethylcyclohexyl)oxypropanoate is CCOC(=O)CCOC1CCCCC1CC.
What is the InChIKey of ethyl 3-(2-ethylcyclohexyl)oxypropanoate?
The InChIKey is UKNZJNLSUXFJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-11-7-5-6-8-12(11)16-10-9-13(14)15-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of ethyl 3-(2-ethylcyclohexyl)oxypropanoate?
ethyl 3-(2-ethylcyclohexyl)oxypropanoate has a molecular weight of 228.33 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethylcyclohexyl)oxypropanoate is sourced from PubChem (CID 43365260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).