ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate

C17H32O3 — CID 83051486

IUPACethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
SMILESCCCC(O)(C(=O)OCC)C1CC(C)CCC1C(C)C
InChIInChI=1S/C17H32O3/c1-6-10-17(19,16(18)20-7-2)15-11-13(5)8-9-14(15)12(3)4/h12-15,19H,6-11H2,1-5H3
InChIKeyLQOWKVKSSZBVGQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.79
Rot. Bonds6

About ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate

ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate (PubChem CID 83051486) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
PubChem CID83051486
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Nameethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
SMILESCCCC(O)(C(=O)OCC)C1CC(C)CCC1C(C)C
InChIInChI=1S/C17H32O3/c1-6-10-17(19,16(18)20-7-2)15-11-13(5)8-9-14(15)12(3)4/h12-15,19H,6-11H2,1-5H3
InChIKeyLQOWKVKSSZBVGQ-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,3-dimethylcyclohexyl)-2-hydroxypentanoate
CID 83052014
ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate
CID 79298134
ethyl 2-hydroxy-2-(3,3,5-trimethylcyclohexyl)pentanoate
CID 83051168
2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane
CID 19033807
[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-acetyl-2-methylpentanoate
CID 124768239
3-[2,3-dihydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)propoxy]-2-(5-methyl-2-propan-2-ylcyclohexyl)propane-1,2-diol
CID 139794288
(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl 2,2-dimethylbutanoate
CID 58937638
ethyl (2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]propanoate
CID 142760008
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-hydroxy-2-methylbutanoate
CID 10999687
[3-benzoyloxy-2,2-bis(5-methyl-2-propan-2-ylcyclohexyl)propyl] benzoate
CID 66620113
ethyl 2-(4-ethylcycloheptyl)-2-hydroxypentanoate
CID 83050545
ethyl (2R)-2-[2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]oxypropanoate
CID 11023446

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate?
The IUPAC name of ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate (CID 83051486) is ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate is CCCC(O)(C(=O)OCC)C1CC(C)CCC1C(C)C.
What is the InChIKey of ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate?
The InChIKey is LQOWKVKSSZBVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-6-10-17(19,16(18)20-7-2)15-11-13(5)8-9-14(15)12(3)4/h12-15,19H,6-11H2,1-5H3.
What are the key properties of ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate?
ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate has a molecular weight of 284.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate is sourced from PubChem (CID 83051486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).