hexylphosphanylmethylboronic acid

C7H18BO2P — CID 153329176

IUPAChexylphosphanylmethylboronic acid
SMILESCCCCCCPCB(O)O
InChIInChI=1S/C7H18BO2P/c1-2-3-4-5-6-11-7-8(9)10/h9-11H,2-7H2,1H3
InChIKeyHZCSHLHNBNXFHG-UHFFFAOYSA-N
MW176.00 g/mol
LogP1.26
Rot. Bonds7

About hexylphosphanylmethylboronic acid

hexylphosphanylmethylboronic acid (PubChem CID 153329176) has the molecular formula C7H18BO2P and a molecular weight of 176.00 g/mol. Its IUPAC name is hexylphosphanylmethylboronic acid.

Molecular Properties

Compound Namehexylphosphanylmethylboronic acid
PubChem CID153329176
Molecular FormulaC7H18BO2P
Molecular Weight176.00 g/mol
Exact Mass176.11
IUPAC Namehexylphosphanylmethylboronic acid
SMILESCCCCCCPCB(O)O
InChIInChI=1S/C7H18BO2P/c1-2-3-4-5-6-11-7-8(9)10/h9-11H,2-7H2,1H3
InChIKeyHZCSHLHNBNXFHG-UHFFFAOYSA-N
XLogP1.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.00
LogP ≤ 51.26
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

decylphosphanylmethylboronic acid
CID 150889550
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
di(nonyl)phosphane;hydrochloride
CID 175813490
butyl(heptadecyl)phosphane
CID 146521828
dipentylphosphane
CID 11105867
heptadecylphosphanylmethoxyboronic acid
CID 172762167
hexadecyl(propyl)phosphane
CID 158670728
tetradecylboronic acid
CID 3528229
methyl(nonyl)phosphane;thulium
CID 87745413
dodecylphosphinous acid
CID 22292110

Frequently Asked Questions

What is the IUPAC name of hexylphosphanylmethylboronic acid?
The IUPAC name of hexylphosphanylmethylboronic acid (CID 153329176) is hexylphosphanylmethylboronic acid.
What is the SMILES notation for hexylphosphanylmethylboronic acid?
The canonical SMILES for hexylphosphanylmethylboronic acid is CCCCCCPCB(O)O.
What is the InChIKey of hexylphosphanylmethylboronic acid?
The InChIKey is HZCSHLHNBNXFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18BO2P/c1-2-3-4-5-6-11-7-8(9)10/h9-11H,2-7H2,1H3.
What are the key properties of hexylphosphanylmethylboronic acid?
hexylphosphanylmethylboronic acid has a molecular weight of 176.00 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexylphosphanylmethylboronic acid is sourced from PubChem (CID 153329176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).