decylphosphanylmethylboronic acid

C11H26BO2P — CID 150889550

IUPACdecylphosphanylmethylboronic acid
SMILESCCCCCCCCCCPCB(O)O
InChIInChI=1S/C11H26BO2P/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14/h13-15H,2-11H2,1H3
InChIKeyKXSRPWRRSRBFDY-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.82
Rot. Bonds11

About decylphosphanylmethylboronic acid

decylphosphanylmethylboronic acid (PubChem CID 150889550) has the molecular formula C11H26BO2P and a molecular weight of 232.11 g/mol. Its IUPAC name is decylphosphanylmethylboronic acid.

Molecular Properties

Compound Namedecylphosphanylmethylboronic acid
PubChem CID150889550
Molecular FormulaC11H26BO2P
Molecular Weight232.11 g/mol
Exact Mass232.18
IUPAC Namedecylphosphanylmethylboronic acid
SMILESCCCCCCCCCCPCB(O)O
InChIInChI=1S/C11H26BO2P/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14/h13-15H,2-11H2,1H3
InChIKeyKXSRPWRRSRBFDY-UHFFFAOYSA-N
XLogP2.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.82
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'}

Analyze decylphosphanylmethylboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexylphosphanylmethylboronic acid
CID 153329176
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
dodecylphosphinous acid
CID 22292110
methyl(nonyl)phosphane;thulium
CID 87745413
tetradecylboronic acid
CID 3528229

Frequently Asked Questions

What is the IUPAC name of decylphosphanylmethylboronic acid?
The IUPAC name of decylphosphanylmethylboronic acid (CID 150889550) is decylphosphanylmethylboronic acid.
What is the SMILES notation for decylphosphanylmethylboronic acid?
The canonical SMILES for decylphosphanylmethylboronic acid is CCCCCCCCCCPCB(O)O.
What is the InChIKey of decylphosphanylmethylboronic acid?
The InChIKey is KXSRPWRRSRBFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26BO2P/c1-2-3-4-5-6-7-8-9-10-15-11-12(13)14/h13-15H,2-11H2,1H3.
What are the key properties of decylphosphanylmethylboronic acid?
decylphosphanylmethylboronic acid has a molecular weight of 232.11 g/mol, XLogP of 2.82, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decylphosphanylmethylboronic acid is sourced from PubChem (CID 150889550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).