butanoic acid;butyl 2-hydroxypropanoate

C11H22O5 — CID 87633857

IUPACbutanoic acid;butyl 2-hydroxypropanoate
SMILESCCCC(=O)O.CCCCOC(=O)C(C)O
InChIInChI=1S/C7H14O3.C4H8O2/c1-3-4-5-10-7(9)6(2)8;1-2-3-4(5)6/h6,8H,3-5H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyAKTTWUAMXPZCEI-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.58
Rot. Bonds6

About butanoic acid;butyl 2-hydroxypropanoate

butanoic acid;butyl 2-hydroxypropanoate (PubChem CID 87633857) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is butanoic acid;butyl 2-hydroxypropanoate.

Molecular Properties

Compound Namebutanoic acid;butyl 2-hydroxypropanoate
PubChem CID87633857
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namebutanoic acid;butyl 2-hydroxypropanoate
SMILESCCCC(=O)O.CCCCOC(=O)C(C)O
InChIInChI=1S/C7H14O3.C4H8O2/c1-3-4-5-10-7(9)6(2)8;1-2-3-4(5)6/h6,8H,3-5H2,1-2H3;2-3H2,1H3,(H,5,6)
InChIKeyAKTTWUAMXPZCEI-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

ethyl 2-hydroxypropanoate;hexanoic acid
CID 175216225
octadecyl 2-hydroxypropanoate;zinc
CID 174699116
5-butoxy-4-methyl-5-oxopentanoic acid
CID 89400293
lithium;hexadecyl 2-hydroxypropanoate;hydride
CID 174573457
butyl (2S)-2-aminopropanoate;2-hydroxypropanoic acid
CID 87380952
1-aminoethanol;butanoic acid
CID 173051358
6-hydroxyhexanoic acid;6-hydroxyhexyl 2-hydroxypropanoate
CID 18471853
tetradecyl 2-hydroxypropanoate;tetradecyl tetradecanoate
CID 89266925
butyl butanoate;hexanedioic acid
CID 175231996
4-[2-(2-hydroxypropanoyloxy)acetyl]oxybutanoic acid
CID 175389566
butyl 2-hydroxypropanoate;cyclohexanone
CID 163741841
butyl acetate;butyl butanoate;2-hydroxypropanoic acid
CID 174908523

Frequently Asked Questions

What is the IUPAC name of butanoic acid;butyl 2-hydroxypropanoate?
The IUPAC name of butanoic acid;butyl 2-hydroxypropanoate (CID 87633857) is butanoic acid;butyl 2-hydroxypropanoate.
What is the SMILES notation for butanoic acid;butyl 2-hydroxypropanoate?
The canonical SMILES for butanoic acid;butyl 2-hydroxypropanoate is CCCC(=O)O.CCCCOC(=O)C(C)O.
What is the InChIKey of butanoic acid;butyl 2-hydroxypropanoate?
The InChIKey is AKTTWUAMXPZCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C4H8O2/c1-3-4-5-10-7(9)6(2)8;1-2-3-4(5)6/h6,8H,3-5H2,1-2H3;2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;butyl 2-hydroxypropanoate?
butanoic acid;butyl 2-hydroxypropanoate 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 butanoic acid;butyl 2-hydroxypropanoate is sourced from PubChem (CID 87633857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).