ethyl 2-hydroxypropanoate;hexanoic acid

C11H22O5 — CID 175216225

IUPACethyl 2-hydroxypropanoate;hexanoic acid
SMILESCCCCCC(=O)O.CCOC(=O)C(C)O
InChIInChI=1S/C6H12O2.C5H10O3/c1-2-3-4-5-6(7)8;1-3-8-5(7)4(2)6/h2-5H2,1H3,(H,7,8);4,6H,3H2,1-2H3
InChIKeyHUGDJZFOYXRUAG-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.58
Rot. Bonds6

About ethyl 2-hydroxypropanoate;hexanoic acid

ethyl 2-hydroxypropanoate;hexanoic acid (PubChem CID 175216225) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is ethyl 2-hydroxypropanoate;hexanoic acid.

Molecular Properties

Compound Nameethyl 2-hydroxypropanoate;hexanoic acid
PubChem CID175216225
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Nameethyl 2-hydroxypropanoate;hexanoic acid
SMILESCCCCCC(=O)O.CCOC(=O)C(C)O
InChIInChI=1S/C6H12O2.C5H10O3/c1-2-3-4-5-6(7)8;1-3-8-5(7)4(2)6/h2-5H2,1H3,(H,7,8);4,6H,3H2,1-2H3
InChIKeyHUGDJZFOYXRUAG-UHFFFAOYSA-N
XLogP1.58
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(dodecanoic acid);bis(propan-2-ol);zirconium
CID 158995387
hexanoic acid;3-methylbutan-2-ol
CID 87099302
butane-2,3-diol;octanoic acid
CID 174697206
butanoic acid;butyl 2-hydroxypropanoate
CID 87633857
ethyl octanoate;octanoic acid
CID 18625122
alumane;tris(butan-2-ol);hexanoic acid
CID 173138466
ethyl 2-hydroxypropanoate;2-fluoroacetic acid
CID 174849871
octadecanoic acid;propan-2-ol;titanium;dihydroxide
CID 23104810
docosanoic acid;1-sulfanylethanol
CID 159479410
ethyl 3-hydroxybutanoate;hexanedioic acid
CID 175499749
diethyl 2,3-dihydroxybutanedioate;bis((Z)-octadec-9-enoic acid)
CID 175862557
docosanoic acid;tetradecane
CID 157248197

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxypropanoate;hexanoic acid?
The IUPAC name of ethyl 2-hydroxypropanoate;hexanoic acid (CID 175216225) is ethyl 2-hydroxypropanoate;hexanoic acid.
What is the SMILES notation for ethyl 2-hydroxypropanoate;hexanoic acid?
The canonical SMILES for ethyl 2-hydroxypropanoate;hexanoic acid is CCCCCC(=O)O.CCOC(=O)C(C)O.
What is the InChIKey of ethyl 2-hydroxypropanoate;hexanoic acid?
The InChIKey is HUGDJZFOYXRUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H10O3/c1-2-3-4-5-6(7)8;1-3-8-5(7)4(2)6/h2-5H2,1H3,(H,7,8);4,6H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxypropanoate;hexanoic acid?
ethyl 2-hydroxypropanoate;hexanoic acid has a molecular weight of 234.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxypropanoate;hexanoic acid is sourced from PubChem (CID 175216225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).