ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate

C10H20O3 — CID 3246222

IUPACethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
SMILESCCOC(=O)C(C)(C)[C@H](O)C(C)C
InChIInChI=1S/C10H20O3/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7-8,11H,6H2,1-5H3/t8-/m1/s1
InChIKeyXCXVWELTULZAKL-MRVPVSSYSA-N
MW188.27 g/mol
LogP1.59
Rot. Bonds4

About ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate

ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate (PubChem CID 3246222) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate.

Molecular Properties

Compound Nameethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
PubChem CID3246222
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Nameethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate
SMILESCCOC(=O)C(C)(C)[C@H](O)C(C)C
InChIInChI=1S/C10H20O3/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7-8,11H,6H2,1-5H3/t8-/m1/s1
InChIKeyXCXVWELTULZAKL-MRVPVSSYSA-N
XLogP1.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 2,2,3-trimethylpentanedioate
CID 13244610
4-ethoxy-2,3,3-trimethyl-4-oxobutanoic acid
CID 22889431
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl (3S)-3,5-dihydroxy-2,2-dimethylpentanoate
CID 131852903
ethyl 3-[3-(4-ethoxy-3,3-dimethyl-4-oxobutan-2-yl)oxysulfonylpropylsulfonyloxy]-2,2-dimethylbutanoate
CID 88862917
ethyl 4-amino-2,2-difluoro-3-hydroxy-5-methylhexanoate
CID 14503329
ethyl 3-butyl-2,2-dimethyloctanoate
CID 170228697
ethyl 3-bromo-2,2-dimethylheptanoate
CID 167616501
diethyl 3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-2,2,5,5-tetramethylhexanedioate
CID 141254947
ethyl (2R,3S)-3-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentanoate
CID 11790320
ethyl (2R)-2,3,3-trimethylbutanoate
CID 59132263
ethyl 3-chlorosulfonyloxy-2,2-dimethylbutanoate
CID 135339215

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate?
The IUPAC name of ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate (CID 3246222) is ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate.
What is the SMILES notation for ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate?
The canonical SMILES for ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate is CCOC(=O)C(C)(C)[C@H](O)C(C)C.
What is the InChIKey of ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate?
The InChIKey is XCXVWELTULZAKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-13-9(12)10(4,5)8(11)7(2)3/h7-8,11H,6H2,1-5H3/t8-/m1/s1.
What are the key properties of ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate?
ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate has a molecular weight of 188.27 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-hydroxy-2,2,4-trimethylpentanoate is sourced from PubChem (CID 3246222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).