heptadecylphosphanylmethoxyboronic acid

C18H40BO3P — CID 172762167

IUPACheptadecylphosphanylmethoxyboronic acid
SMILESCCCCCCCCCCCCCCCCCPCOB(O)O
InChIInChI=1S/C18H40BO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-22-19(20)21/h20-21,23H,2-18H2,1H3
InChIKeyLVHNVLBZEJDAHS-UHFFFAOYSA-N
MW346.30 g/mol
LogP5.48
Rot. Bonds19

About heptadecylphosphanylmethoxyboronic acid

heptadecylphosphanylmethoxyboronic acid (PubChem CID 172762167) has the molecular formula C18H40BO3P and a molecular weight of 346.30 g/mol. Its IUPAC name is heptadecylphosphanylmethoxyboronic acid.

Molecular Properties

Compound Nameheptadecylphosphanylmethoxyboronic acid
PubChem CID172762167
Molecular FormulaC18H40BO3P
Molecular Weight346.30 g/mol
Exact Mass346.28
IUPAC Nameheptadecylphosphanylmethoxyboronic acid
SMILESCCCCCCCCCCCCCCCCCPCOB(O)O
InChIInChI=1S/C18H40BO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-22-19(20)21/h20-21,23H,2-18H2,1H3
InChIKeyLVHNVLBZEJDAHS-UHFFFAOYSA-N
XLogP5.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.30
LogP ≤ 55.48
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

decylphosphanylmethylboronic acid
CID 150889550
hexylphosphanylmethylboronic acid
CID 153329176
decyl(undecyl)phosphane
CID 87830755
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
nonadecoxyboronic acid
CID 154133434
di(nonyl)phosphane;hydrochloride
CID 175813490
butyl(heptadecyl)phosphane
CID 146521828
azane;hexoxyboronic acid
CID 174594578
copper;hexoxyboronic acid
CID 174901938
dipentylphosphane
CID 11105867
hexadecyl(propyl)phosphane
CID 158670728

Frequently Asked Questions

What is the IUPAC name of heptadecylphosphanylmethoxyboronic acid?
The IUPAC name of heptadecylphosphanylmethoxyboronic acid (CID 172762167) is heptadecylphosphanylmethoxyboronic acid.
What is the SMILES notation for heptadecylphosphanylmethoxyboronic acid?
The canonical SMILES for heptadecylphosphanylmethoxyboronic acid is CCCCCCCCCCCCCCCCCPCOB(O)O.
What is the InChIKey of heptadecylphosphanylmethoxyboronic acid?
The InChIKey is LVHNVLBZEJDAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40BO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-18-22-19(20)21/h20-21,23H,2-18H2,1H3.
What are the key properties of heptadecylphosphanylmethoxyboronic acid?
heptadecylphosphanylmethoxyboronic acid has a molecular weight of 346.30 g/mol, XLogP of 5.48, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecylphosphanylmethoxyboronic acid is sourced from PubChem (CID 172762167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).