decanoic acid;2-hydroxybutanoic acid

C14H28O5 — CID 87148491

IUPACdecanoic acid;2-hydroxybutanoic acid
SMILESCCC(O)C(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.C4H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3(5)4(6)7/h2-9H2,1H3,(H,11,12);3,5H,2H2,1H3,(H,6,7)
InChIKeyXGFGTRPWTSAYDL-UHFFFAOYSA-N
MW276.37 g/mol
LogP3.05
Rot. Bonds10

About decanoic acid;2-hydroxybutanoic acid

decanoic acid;2-hydroxybutanoic acid (PubChem CID 87148491) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is decanoic acid;2-hydroxybutanoic acid.

Molecular Properties

Compound Namedecanoic acid;2-hydroxybutanoic acid
PubChem CID87148491
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Namedecanoic acid;2-hydroxybutanoic acid
SMILESCCC(O)C(=O)O.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.C4H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3(5)4(6)7/h2-9H2,1H3,(H,11,12);3,5H,2H2,1H3,(H,6,7)
InChIKeyXGFGTRPWTSAYDL-UHFFFAOYSA-N
XLogP3.05
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
octadecanoic acid;propane-1,1-diol
CID 87098622
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of decanoic acid;2-hydroxybutanoic acid?
The IUPAC name of decanoic acid;2-hydroxybutanoic acid (CID 87148491) is decanoic acid;2-hydroxybutanoic acid.
What is the SMILES notation for decanoic acid;2-hydroxybutanoic acid?
The canonical SMILES for decanoic acid;2-hydroxybutanoic acid is CCC(O)C(=O)O.CCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid;2-hydroxybutanoic acid?
The InChIKey is XGFGTRPWTSAYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C4H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3(5)4(6)7/h2-9H2,1H3,(H,11,12);3,5H,2H2,1H3,(H,6,7).
What are the key properties of decanoic acid;2-hydroxybutanoic acid?
decanoic acid;2-hydroxybutanoic acid has a molecular weight of 276.37 g/mol, XLogP of 3.05, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;2-hydroxybutanoic acid is sourced from PubChem (CID 87148491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).