ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate

C13H24O3 — CID 79298576

IUPACethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)C1CCCCC1CC
InChIInChI=1S/C13H24O3/c1-4-10-8-6-7-9-11(10)13(3,15)12(14)16-5-2/h10-11,15H,4-9H2,1-3H3
InChIKeyNIXVUYRVHUFGQI-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.52
Rot. Bonds4

About ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate

ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate (PubChem CID 79298576) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate
PubChem CID79298576
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)C1CCCCC1CC
InChIInChI=1S/C13H24O3/c1-4-10-8-6-7-9-11(10)13(3,15)12(14)16-5-2/h10-11,15H,4-9H2,1-3H3
InChIKeyNIXVUYRVHUFGQI-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
CID 165348974
2-(2-ethylcyclopentyl)propan-2-ol
CID 143832066
1-ethyl-2-[2-(2-ethylcyclohexyl)propan-2-yl]cyclohexane
CID 154060366
1-cyclopropyl-1-(2-ethylcyclohexyl)ethanol
CID 63863435
ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate
CID 79298252
ethyl 2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]propanoate
CID 79308318
ethyl 2-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
CID 79307919
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
ethyl 2-hydroxy-2-(2-methoxycyclohexyl)butanoate
CID 106874759
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 68952925
ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
CID 79299326

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate?
The IUPAC name of ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate (CID 79298576) is ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate?
The canonical SMILES for ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate is CCOC(=O)C(C)(O)C1CCCCC1CC.
What is the InChIKey of ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate?
The InChIKey is NIXVUYRVHUFGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-10-8-6-7-9-11(10)13(3,15)12(14)16-5-2/h10-11,15H,4-9H2,1-3H3.
What are the key properties of ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate?
ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate has a molecular weight of 228.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethylcyclohexyl)-2-hydroxypropanoate is sourced from PubChem (CID 79298576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).