tetradecylboronic acid

C14H31BO2 — CID 3528229

IUPACtetradecylboronic acid
SMILESCCCCCCCCCCCCCCB(O)O
InChIInChI=1S/C14H31BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h16-17H,2-14H2,1H3
InChIKeyMCUAMUGSKSODIJ-UHFFFAOYSA-N
MW242.21 g/mol
LogP4.16
Rot. Bonds13

About tetradecylboronic acid

tetradecylboronic acid (PubChem CID 3528229) has the molecular formula C14H31BO2 and a molecular weight of 242.21 g/mol. Its IUPAC name is tetradecylboronic acid.

Molecular Properties

Compound Nametetradecylboronic acid
PubChem CID3528229
Molecular FormulaC14H31BO2
Molecular Weight242.21 g/mol
Exact Mass242.24
IUPAC Nametetradecylboronic acid
SMILESCCCCCCCCCCCCCCB(O)O
InChIInChI=1S/C14H31BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h16-17H,2-14H2,1H3
InChIKeyMCUAMUGSKSODIJ-UHFFFAOYSA-N
XLogP4.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

octadecylboronic acid
CID 521161
CID 158911763
CID 158911763
CID 131878919
CID 131878919
tri(nonyl)borane
CID 12793706
CID 156634462
CID 156634462
CID 156634460
CID 156634460
(3-hexyl-3-methylnonyl)boronic acid
CID 174090201
methanol;undecane
CID 161373911
heptyl(dimethyl)borane
CID 123843147
CID 161246447
CID 161246447
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of tetradecylboronic acid?
The IUPAC name of tetradecylboronic acid (CID 3528229) is tetradecylboronic acid.
What is the SMILES notation for tetradecylboronic acid?
The canonical SMILES for tetradecylboronic acid is CCCCCCCCCCCCCCB(O)O.
What is the InChIKey of tetradecylboronic acid?
The InChIKey is MCUAMUGSKSODIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h16-17H,2-14H2,1H3.
What are the key properties of tetradecylboronic acid?
tetradecylboronic acid has a molecular weight of 242.21 g/mol, XLogP of 4.16, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecylboronic acid is sourced from PubChem (CID 3528229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).