ethyl 2-ethyl-2-hydroxy-3-methylpentanoate

C10H20O3 — CID 79298792

IUPACethyl 2-ethyl-2-hydroxy-3-methylpentanoate
SMILESCCOC(=O)C(O)(CC)C(C)CC
InChIInChI=1S/C10H20O3/c1-5-8(4)10(12,6-2)9(11)13-7-3/h8,12H,5-7H2,1-4H3
InChIKeyILXSYIOYGXKJQH-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.74
Rot. Bonds5

About ethyl 2-ethyl-2-hydroxy-3-methylpentanoate

ethyl 2-ethyl-2-hydroxy-3-methylpentanoate (PubChem CID 79298792) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl 2-ethyl-2-hydroxy-3-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-ethyl-2-hydroxy-3-methylpentanoate
PubChem CID79298792
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethyl 2-ethyl-2-hydroxy-3-methylpentanoate
SMILESCCOC(=O)C(O)(CC)C(C)CC
InChIInChI=1S/C10H20O3/c1-5-8(4)10(12,6-2)9(11)13-7-3/h8,12H,5-7H2,1-4H3
InChIKeyILXSYIOYGXKJQH-UHFFFAOYSA-N
XLogP1.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-[(2R)-butan-2-yl]-2-chloropropanedioate
CID 640280
ethyl 2-ethyl-2-hydroxy-4-(2-methoxyphenyl)-3-methylbutanoate
CID 79298689
ethyl 2-ethoxy-2,3-dimethylpentanoate
CID 140976070
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
ethyl 2,4-dihydroxy-2-methylpentanoate;prop-1-ene;silane
CID 174963921
ethyl 2,2,4-trimethyl-3-oxohexanoate
CID 63717246
diethyl 2,2,3,3-tetrahydroxybutanedioate
CID 11264895
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
diethyl 2-hydroxy-2-[(2S)-1-oxobutan-2-yl]propanedioate
CID 101158832
ethyl 3-(3,4-difluorophenyl)-2-ethyl-2-hydroxybutanoate
CID 79299548
diethyl 2,2,3-trimethylpentanedioate
CID 13244610

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-2-hydroxy-3-methylpentanoate?
The IUPAC name of ethyl 2-ethyl-2-hydroxy-3-methylpentanoate (CID 79298792) is ethyl 2-ethyl-2-hydroxy-3-methylpentanoate.
What is the SMILES notation for ethyl 2-ethyl-2-hydroxy-3-methylpentanoate?
The canonical SMILES for ethyl 2-ethyl-2-hydroxy-3-methylpentanoate is CCOC(=O)C(O)(CC)C(C)CC.
What is the InChIKey of ethyl 2-ethyl-2-hydroxy-3-methylpentanoate?
The InChIKey is ILXSYIOYGXKJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-5-8(4)10(12,6-2)9(11)13-7-3/h8,12H,5-7H2,1-4H3.
What are the key properties of ethyl 2-ethyl-2-hydroxy-3-methylpentanoate?
ethyl 2-ethyl-2-hydroxy-3-methylpentanoate has a molecular weight of 188.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-2-hydroxy-3-methylpentanoate is sourced from PubChem (CID 79298792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).