ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate

C12H24O5 — CID 175450958

IUPACethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
SMILESCCOC(=O)C(C)CC.CCOC(=O)C(C)O
InChIInChI=1S/C7H14O2.C5H10O3/c1-4-6(3)7(8)9-5-2;1-3-8-5(7)4(2)6/h6H,4-5H2,1-3H3;4,6H,3H2,1-2H3
InChIKeyKZCHDFOFHPRLNX-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.53
Rot. Bonds5

About ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate

ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate (PubChem CID 175450958) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
PubChem CID175450958
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Nameethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate
SMILESCCOC(=O)C(C)CC.CCOC(=O)C(C)O
InChIInChI=1S/C7H14O2.C5H10O3/c1-4-6(3)7(8)9-5-2;1-3-8-5(7)4(2)6/h6H,4-5H2,1-3H3;4,6H,3H2,1-2H3
InChIKeyKZCHDFOFHPRLNX-UHFFFAOYSA-N
XLogP1.53
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate 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

ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
benzene;ethyl 2-methylbutanoate;trifluoroborane
CID 144643378
propyl (2R)-2-methylbutanoate
CID 86306230
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
ethyl (2R,4S)-4-hydroxy-2-methylpentanoate
CID 163005989
ethyl 2-methylhexanoate
CID 12714009
2-propylpentyl 2-methylbutanoate
CID 155014190
ethyl (2R,4R)-2,4-dimethylhexanoate
CID 143853541
ethyl 2,4-dimethyl-3-oxohexanoate
CID 165012883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate?
The IUPAC name of ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate (CID 175450958) is ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate.
What is the SMILES notation for ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate?
The canonical SMILES for ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate is CCOC(=O)C(C)CC.CCOC(=O)C(C)O.
What is the InChIKey of ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate?
The InChIKey is KZCHDFOFHPRLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C5H10O3/c1-4-6(3)7(8)9-5-2;1-3-8-5(7)4(2)6/h6H,4-5H2,1-3H3;4,6H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate?
ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate has a molecular weight of 248.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;ethyl 2-methylbutanoate is sourced from PubChem (CID 175450958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).