ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate

C12H22O3 — CID 79298134

IUPACethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate
SMILESCCOC(=O)C(O)(CC)C1CCC(C)C1
InChIInChI=1S/C12H22O3/c1-4-12(14,11(13)15-5-2)10-7-6-9(3)8-10/h9-10,14H,4-8H2,1-3H3
InChIKeyZFLCUFYWUHYMPJ-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.13
Rot. Bonds4

About ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate

ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate (PubChem CID 79298134) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate
PubChem CID79298134
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate
SMILESCCOC(=O)C(O)(CC)C1CCC(C)C1
InChIInChI=1S/C12H22O3/c1-4-12(14,11(13)15-5-2)10-7-6-9(3)8-10/h9-10,14H,4-8H2,1-3H3
InChIKeyZFLCUFYWUHYMPJ-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.13
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-(3-methylcyclopentyl)butanoate?
The IUPAC name of ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate (CID 79298134) is ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate.
What is the SMILES notation for ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate?
The canonical SMILES for ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate is CCOC(=O)C(O)(CC)C1CCC(C)C1.
What is the InChIKey of ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate?
The InChIKey is ZFLCUFYWUHYMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-12(14,11(13)15-5-2)10-7-6-9(3)8-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate?
ethyl 2-hydroxy-2-(3-methylcyclopentyl)butanoate has a molecular weight of 214.30 g/mol, XLogP of 2.13, 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-(3-methylcyclopentyl)butanoate is sourced from PubChem (CID 79298134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).