ethyl 2-hydroxypropanoate;3-methylbutyl acetate

C12H24O5 — CID 159025256

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

About ethyl 2-hydroxypropanoate;3-methylbutyl acetate

ethyl 2-hydroxypropanoate;3-methylbutyl acetate (PubChem CID 159025256) has the molecular formula C12H24O5 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;3-methylbutyl acetate.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;3-methylbutyl acetate
PubChem CID159025256
Molecular FormulaC12H24O5
Molecular Weight248.32 g/mol
Exact Mass248.16
IUPAC Nameethyl 2-hydroxypropanoate;3-methylbutyl acetate
SMILESCC(=O)OCCC(C)C.CCOC(=O)C(C)O
InChIInChI=1S/C7H14O2.C5H10O3/c1-6(2)4-5-9-7(3)8;1-3-8-5(7)4(2)6/h6H,4-5H2,1-3H3;4,6H,3H2,1-2H3
InChIKeyJUEXFMVIBSFZSX-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;3-methylbutyl acetate 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

acetaldehyde;ethyl acetate;3-methylbutyl acetate
CID 160802791
ethyl acetate;tris(2-methylpentane)
CID 173095703
heptane;3-methylbutyl acetate
CID 89407384
3-methylbutyl acetate;oxophosphanium
CID 159706016
butan-1-ol;3-methylbutyl acetate
CID 159919407
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl hexadecanoate;ethyl pentanoate;3-methylbutyl acetate
CID 159077552
butan-2-one;ethyl 2-hydroxypropanoate
CID 19875658
ethyl acetate;bis(propan-2-ol)
CID 87186921
3-methylbutyl acetate;propyl 2,2-dimethylpropanoate
CID 174975748
ethyl acetate;propan-2-ol;hydrate
CID 22041847
ethyl acetate;oxoplatinum
CID 158371854

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;3-methylbutyl acetate?
The IUPAC name of ethyl 2-hydroxypropanoate;3-methylbutyl acetate (CID 159025256) is ethyl 2-hydroxypropanoate;3-methylbutyl acetate.
What is the SMILES notation for ethyl 2-hydroxypropanoate;3-methylbutyl acetate?
The canonical SMILES for ethyl 2-hydroxypropanoate;3-methylbutyl acetate is CC(=O)OCCC(C)C.CCOC(=O)C(C)O.
What is the InChIKey of ethyl 2-hydroxypropanoate;3-methylbutyl acetate?
The InChIKey is JUEXFMVIBSFZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C5H10O3/c1-6(2)4-5-9-7(3)8;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;3-methylbutyl acetate?
ethyl 2-hydroxypropanoate;3-methylbutyl acetate 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;3-methylbutyl acetate is sourced from PubChem (CID 159025256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).