12-hydroxytetradecan-3-ylboronic acid

C14H31BO3 — CID 89343355

IUPAC12-hydroxytetradecan-3-ylboronic acid
SMILESCCC(O)CCCCCCCCC(CC)B(O)O
InChIInChI=1S/C14H31BO3/c1-3-13(15(17)18)11-9-7-5-6-8-10-12-14(16)4-2/h13-14,16-18H,3-12H2,1-2H3
InChIKeyXYGJFKPHKSJEOK-UHFFFAOYSA-N
MW258.21 g/mol
LogP3.13
Rot. Bonds12

About 12-hydroxytetradecan-3-ylboronic acid

12-hydroxytetradecan-3-ylboronic acid (PubChem CID 89343355) has the molecular formula C14H31BO3 and a molecular weight of 258.21 g/mol. Its IUPAC name is 12-hydroxytetradecan-3-ylboronic acid.

Molecular Properties

Compound Name12-hydroxytetradecan-3-ylboronic acid
PubChem CID89343355
Molecular FormulaC14H31BO3
Molecular Weight258.21 g/mol
Exact Mass258.24
IUPAC Name12-hydroxytetradecan-3-ylboronic acid
SMILESCCC(O)CCCCCCCCC(CC)B(O)O
InChIInChI=1S/C14H31BO3/c1-3-13(15(17)18)11-9-7-5-6-8-10-12-14(16)4-2/h13-14,16-18H,3-12H2,1-2H3
InChIKeyXYGJFKPHKSJEOK-UHFFFAOYSA-N
XLogP3.13
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

decane-1,8-diol
CID 160857478
undecane-1,9-diol
CID 56629636
icosane-1,18-diol
CID 87114916
octane-1,6-diol
CID 159745348
(5R)-heptane-1,5-diol
CID 170849468
icosan-3-ol
CID 14940768
nonane-3,7-diol
CID 22141483
icosane-3,10-diol
CID 141217833
(3R)-10-methylundecan-3-ol
CID 164999222
decane-1,2,8-triol
CID 88722169
dodecan-3-ol;propane
CID 159624658
12-bromododecan-3-ol
CID 10706786

Frequently Asked Questions

What is the IUPAC name of 12-hydroxytetradecan-3-ylboronic acid?
The IUPAC name of 12-hydroxytetradecan-3-ylboronic acid (CID 89343355) is 12-hydroxytetradecan-3-ylboronic acid.
What is the SMILES notation for 12-hydroxytetradecan-3-ylboronic acid?
The canonical SMILES for 12-hydroxytetradecan-3-ylboronic acid is CCC(O)CCCCCCCCC(CC)B(O)O.
What is the InChIKey of 12-hydroxytetradecan-3-ylboronic acid?
The InChIKey is XYGJFKPHKSJEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31BO3/c1-3-13(15(17)18)11-9-7-5-6-8-10-12-14(16)4-2/h13-14,16-18H,3-12H2,1-2H3.
What are the key properties of 12-hydroxytetradecan-3-ylboronic acid?
12-hydroxytetradecan-3-ylboronic acid has a molecular weight of 258.21 g/mol, XLogP of 3.13, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxytetradecan-3-ylboronic acid is sourced from PubChem (CID 89343355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).