decanoyloxyboronic acid

C10H21BO4 — CID 174927421

IUPACdecanoyloxyboronic acid
SMILESCCCCCCCCCC(=O)OB(O)O
InChIInChI=1S/C10H21BO4/c1-2-3-4-5-6-7-8-9-10(12)15-11(13)14/h13-14H,2-9H2,1H3
InChIKeyLDLMQJOIASVEKF-UHFFFAOYSA-N
MW216.09 g/mol
LogP1.64
Rot. Bonds9

About decanoyloxyboronic acid

decanoyloxyboronic acid (PubChem CID 174927421) has the molecular formula C10H21BO4 and a molecular weight of 216.09 g/mol. Its IUPAC name is decanoyloxyboronic acid.

Molecular Properties

Compound Namedecanoyloxyboronic acid
PubChem CID174927421
Molecular FormulaC10H21BO4
Molecular Weight216.09 g/mol
Exact Mass216.15
IUPAC Namedecanoyloxyboronic acid
SMILESCCCCCCCCCC(=O)OB(O)O
InChIInChI=1S/C10H21BO4/c1-2-3-4-5-6-7-8-9-10(12)15-11(13)14/h13-14H,2-9H2,1H3
InChIKeyLDLMQJOIASVEKF-UHFFFAOYSA-N
XLogP1.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.09
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

copper;octadecanoyloxyboronic acid
CID 175224071
dodecanoyloxyboronic acid;bis(propane-1,2,3-triol)
CID 88657156
methyl octadecanoate;methyl octanoate
CID 157178883
methyl heptanoate
CID 7826
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methyl nonanoate;hydrochloride
CID 141151355
methanol;methyl decanoate
CID 174459243
pentadecanoyl hexadecanoate
CID 87499774
ditetradecanoyl hexanedioate
CID 175560209

Frequently Asked Questions

What is the IUPAC name of decanoyloxyboronic acid?
The IUPAC name of decanoyloxyboronic acid (CID 174927421) is decanoyloxyboronic acid.
What is the SMILES notation for decanoyloxyboronic acid?
The canonical SMILES for decanoyloxyboronic acid is CCCCCCCCCC(=O)OB(O)O.
What is the InChIKey of decanoyloxyboronic acid?
The InChIKey is LDLMQJOIASVEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BO4/c1-2-3-4-5-6-7-8-9-10(12)15-11(13)14/h13-14H,2-9H2,1H3.
What are the key properties of decanoyloxyboronic acid?
decanoyloxyboronic acid has a molecular weight of 216.09 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decanoyloxyboronic acid is sourced from PubChem (CID 174927421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).