(2-non-1-en-5-ylphenyl)boronic acid

C15H23BO2 — CID 174752901

IUPAC(2-non-1-en-5-ylphenyl)boronic acid
SMILESC=CCCC(CCCC)c1ccccc1B(O)O
InChIInChI=1S/C15H23BO2/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-15(14)16(17)18/h3,7-8,11-13,17-18H,1,4-6,9-10H2,2H3
InChIKeyGUWFRNTXYVQXBR-UHFFFAOYSA-N
MW246.16 g/mol
LogP2.61
Rot. Bonds8

About (2-non-1-en-5-ylphenyl)boronic acid

(2-non-1-en-5-ylphenyl)boronic acid (PubChem CID 174752901) has the molecular formula C15H23BO2 and a molecular weight of 246.16 g/mol. Its IUPAC name is (2-non-1-en-5-ylphenyl)boronic acid.

Molecular Properties

Compound Name(2-non-1-en-5-ylphenyl)boronic acid
PubChem CID174752901
Molecular FormulaC15H23BO2
Molecular Weight246.16 g/mol
Exact Mass246.18
IUPAC Name(2-non-1-en-5-ylphenyl)boronic acid
SMILESC=CCCC(CCCC)c1ccccc1B(O)O
InChIInChI=1S/C15H23BO2/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-15(14)16(17)18/h3,7-8,11-13,17-18H,1,4-6,9-10H2,2H3
InChIKeyGUWFRNTXYVQXBR-UHFFFAOYSA-N
XLogP2.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.16
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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formaldehyde;2-tridecan-5-ylphenol
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2-pentadecan-6-ylphenol
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(1-but-3-enyl-10-phenyldodec-5-enyl)benzene
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(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
(5R,6R)-dec-1-ene-5,6-diol
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Frequently Asked Questions

What is the IUPAC name of (2-non-1-en-5-ylphenyl)boronic acid?
The IUPAC name of (2-non-1-en-5-ylphenyl)boronic acid (CID 174752901) is (2-non-1-en-5-ylphenyl)boronic acid.
What is the SMILES notation for (2-non-1-en-5-ylphenyl)boronic acid?
The canonical SMILES for (2-non-1-en-5-ylphenyl)boronic acid is C=CCCC(CCCC)c1ccccc1B(O)O.
What is the InChIKey of (2-non-1-en-5-ylphenyl)boronic acid?
The InChIKey is GUWFRNTXYVQXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO2/c1-3-5-9-13(10-6-4-2)14-11-7-8-12-15(14)16(17)18/h3,7-8,11-13,17-18H,1,4-6,9-10H2,2H3.
What are the key properties of (2-non-1-en-5-ylphenyl)boronic acid?
(2-non-1-en-5-ylphenyl)boronic acid has a molecular weight of 246.16 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-non-1-en-5-ylphenyl)boronic acid is sourced from PubChem (CID 174752901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).