(2-undec-7-enylphenoxy)boronic acid

C17H27BO3 — CID 175221024

IUPAC(2-undec-7-enylphenoxy)boronic acid
SMILESCCCC=CCCCCCCc1ccccc1OB(O)O
InChIInChI=1S/C17H27BO3/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21-18(19)20/h4-5,11-12,14-15,19-20H,2-3,6-10,13H2,1H3
InChIKeyIWGPOEJKINSJOM-UHFFFAOYSA-N
MW290.21 g/mol
LogP3.88
Rot. Bonds11

About (2-undec-7-enylphenoxy)boronic acid

(2-undec-7-enylphenoxy)boronic acid (PubChem CID 175221024) has the molecular formula C17H27BO3 and a molecular weight of 290.21 g/mol. Its IUPAC name is (2-undec-7-enylphenoxy)boronic acid.

Molecular Properties

Compound Name(2-undec-7-enylphenoxy)boronic acid
PubChem CID175221024
Molecular FormulaC17H27BO3
Molecular Weight290.21 g/mol
Exact Mass290.21
IUPAC Name(2-undec-7-enylphenoxy)boronic acid
SMILESCCCC=CCCCCCCc1ccccc1OB(O)O
InChIInChI=1S/C17H27BO3/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21-18(19)20/h4-5,11-12,14-15,19-20H,2-3,6-10,13H2,1H3
InChIKeyIWGPOEJKINSJOM-UHFFFAOYSA-N
XLogP3.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(E)-tridec-9-enyl]phenoxy]methyl]oxirane
CID 101312807
2-[[2-[(E)-octadec-12-enyl]phenoxy]methyl]oxirane
CID 101313228
2-[[2-[(E)-heptadec-11-enyl]phenoxy]methyl]oxirane
CID 101313131
(2-heptylphenyl) formate
CID 141284661
2-[[2-[(E)-hexadec-11-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313086
2-[[2-[(E)-heptadec-12-enyl]phenoxy]methyl]-2-methyloxirane
CID 101313180
2-methyl-2-[[2-[(E)-octadec-11-enyl]phenoxy]methyl]oxirane
CID 101313278
(2,4-didecylphenoxy)boronic acid
CID 157267410
[(8E,11E)-pentadeca-8,11-dienyl]benzene
CID 173434381
1-[(E)-octadec-13-enyl]naphthalene
CID 101307634
1-[(E)-pentadec-7-enyl]naphthalene
CID 101307533
1-[(E)-heptadec-10-enyl]naphthalene
CID 101307596

Frequently Asked Questions

What is the IUPAC name of (2-undec-7-enylphenoxy)boronic acid?
The IUPAC name of (2-undec-7-enylphenoxy)boronic acid (CID 175221024) is (2-undec-7-enylphenoxy)boronic acid.
What is the SMILES notation for (2-undec-7-enylphenoxy)boronic acid?
The canonical SMILES for (2-undec-7-enylphenoxy)boronic acid is CCCC=CCCCCCCc1ccccc1OB(O)O.
What is the InChIKey of (2-undec-7-enylphenoxy)boronic acid?
The InChIKey is IWGPOEJKINSJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BO3/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21-18(19)20/h4-5,11-12,14-15,19-20H,2-3,6-10,13H2,1H3.
What are the key properties of (2-undec-7-enylphenoxy)boronic acid?
(2-undec-7-enylphenoxy)boronic acid has a molecular weight of 290.21 g/mol, XLogP of 3.88, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-undec-7-enylphenoxy)boronic acid is sourced from PubChem (CID 175221024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).