[(E)-11-hydroxyundec-1-enyl]boronic acid

C11H23BO3 — CID 10987620

IUPAC[(E)-11-hydroxyundec-1-enyl]boronic acid
SMILESOCCCCCCCCC/C=C/B(O)O
InChIInChI=1S/C11H23BO3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h8,10,13-15H,1-7,9,11H2/b10-8+
InChIKeyMPBPPOVSEOATBT-CSKARUKUSA-N
MW214.11 g/mol
LogP1.67
Rot. Bonds10

About [(E)-11-hydroxyundec-1-enyl]boronic acid

[(E)-11-hydroxyundec-1-enyl]boronic acid (PubChem CID 10987620) has the molecular formula C11H23BO3 and a molecular weight of 214.11 g/mol. Its IUPAC name is [(E)-11-hydroxyundec-1-enyl]boronic acid.

Molecular Properties

Compound Name[(E)-11-hydroxyundec-1-enyl]boronic acid
PubChem CID10987620
Molecular FormulaC11H23BO3
Molecular Weight214.11 g/mol
Exact Mass214.17
IUPAC Name[(E)-11-hydroxyundec-1-enyl]boronic acid
SMILESOCCCCCCCCC/C=C/B(O)O
InChIInChI=1S/C11H23BO3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h8,10,13-15H,1-7,9,11H2/b10-8+
InChIKeyMPBPPOVSEOATBT-CSKARUKUSA-N
XLogP1.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 51.67
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

(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
hexadec-8-ene-1,16-diol
CID 54395986
hept-1-enylboronic acid
CID 2773442
(E)-hexadec-1-ene-1,16-diol
CID 57427575
heptadec-1-ene-1,17-diol
CID 142730253
5-iodopent-1-enylboronic acid
CID 54539048
ethanol;octadec-9-en-1-ol
CID 173109565
sodium;(E)-hept-1-ene-1,7-diol;hydride
CID 174548415
8-chlorooct-7-en-1-ol
CID 57208021
octadeca-9,17-dien-1-ol
CID 78409331
12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol
CID 173344652
(E)-undec-8-en-1-ol
CID 6366560

Frequently Asked Questions

What is the IUPAC name of [(E)-11-hydroxyundec-1-enyl]boronic acid?
The IUPAC name of [(E)-11-hydroxyundec-1-enyl]boronic acid (CID 10987620) is [(E)-11-hydroxyundec-1-enyl]boronic acid.
What is the SMILES notation for [(E)-11-hydroxyundec-1-enyl]boronic acid?
The canonical SMILES for [(E)-11-hydroxyundec-1-enyl]boronic acid is OCCCCCCCCC/C=C/B(O)O.
What is the InChIKey of [(E)-11-hydroxyundec-1-enyl]boronic acid?
The InChIKey is MPBPPOVSEOATBT-CSKARUKUSA-N. The full InChI is InChI=1S/C11H23BO3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h8,10,13-15H,1-7,9,11H2/b10-8+.
What are the key properties of [(E)-11-hydroxyundec-1-enyl]boronic acid?
[(E)-11-hydroxyundec-1-enyl]boronic acid has a molecular weight of 214.11 g/mol, XLogP of 1.67, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-11-hydroxyundec-1-enyl]boronic acid is sourced from PubChem (CID 10987620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).