ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate

C13H24O3 — CID 79298252

IUPACethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate
SMILESCCOC(=O)C(O)(CC)C1CCCCC1C
InChIInChI=1S/C13H24O3/c1-4-13(15,12(14)16-5-2)11-9-7-6-8-10(11)3/h10-11,15H,4-9H2,1-3H3
InChIKeyUMPPJLIHBAHJSY-UHFFFAOYSA-N
MW228.33 g/mol
LogP2.52
Rot. Bonds4

About ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate

ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate (PubChem CID 79298252) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate
PubChem CID79298252
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Nameethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate
SMILESCCOC(=O)C(O)(CC)C1CCCCC1C
InChIInChI=1S/C13H24O3/c1-4-13(15,12(14)16-5-2)11-9-7-6-8-10(11)3/h10-11,15H,4-9H2,1-3H3
InChIKeyUMPPJLIHBAHJSY-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate?
The IUPAC name of ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate (CID 79298252) is ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate is CCOC(=O)C(O)(CC)C1CCCCC1C.
What is the InChIKey of ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate?
The InChIKey is UMPPJLIHBAHJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3/c1-4-13(15,12(14)16-5-2)11-9-7-6-8-10(11)3/h10-11,15H,4-9H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate?
ethyl 2-hydroxy-2-(2-methylcyclohexyl)butanoate 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-hydroxy-2-(2-methylcyclohexyl)butanoate is sourced from PubChem (CID 79298252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).