butyl(methyl)phosphinic acid

C5H13O2P — CID 10909622

IUPACbutyl(methyl)phosphinic acid
SMILESCCCCP(C)(=O)O
InChIInChI=1S/C5H13O2P/c1-3-4-5-8(2,6)7/h3-5H2,1-2H3,(H,6,7)
InChIKeyCORRWSLEWBGTFG-UHFFFAOYSA-N
MW136.13 g/mol
LogP1.69
Rot. Bonds3

About butyl(methyl)phosphinic acid

butyl(methyl)phosphinic acid (PubChem CID 10909622) has the molecular formula C5H13O2P and a molecular weight of 136.13 g/mol. Its IUPAC name is butyl(methyl)phosphinic acid.

Molecular Properties

Compound Namebutyl(methyl)phosphinic acid
PubChem CID10909622
Molecular FormulaC5H13O2P
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Namebutyl(methyl)phosphinic acid
SMILESCCCCP(C)(=O)O
InChIInChI=1S/C5H13O2P/c1-3-4-5-8(2,6)7/h3-5H2,1-2H3,(H,6,7)
InChIKeyCORRWSLEWBGTFG-UHFFFAOYSA-N
XLogP1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butyl(methyl)phosphinic 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

methyl(propyl)phosphinic acid
CID 10992780
butylphosphonic acid;neodymium
CID 134499527
[butyl(hydroxy)phosphoryl]azanide
CID 163826899
[butyl(hydroxy)phosphoryl]phosphonic acid
CID 23219870
potassium;butylphosphonic acid;hydride
CID 174388690
sodium;boranuide;1-dibutylphosphorylbutane
CID 174755503
3-aminopropyl(methyl)phosphinic acid chloride
CID 53346869
alumane;butyl(propyl)phosphinic acid
CID 174987333
dodecane;phosphoric acid
CID 88801558
1-[chloro(methyl)phosphoryl]butane
CID 14592594
aminomethyl(methyl)phosphinic acid;butan-1-amine
CID 139413899
butyl(2-hydroxyethyl)phosphinic acid
CID 87233440

Frequently Asked Questions

What is the IUPAC name of butyl(methyl)phosphinic acid?
The IUPAC name of butyl(methyl)phosphinic acid (CID 10909622) is butyl(methyl)phosphinic acid.
What is the SMILES notation for butyl(methyl)phosphinic acid?
The canonical SMILES for butyl(methyl)phosphinic acid is CCCCP(C)(=O)O.
What is the InChIKey of butyl(methyl)phosphinic acid?
The InChIKey is CORRWSLEWBGTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O2P/c1-3-4-5-8(2,6)7/h3-5H2,1-2H3,(H,6,7).
What are the key properties of butyl(methyl)phosphinic acid?
butyl(methyl)phosphinic acid has a molecular weight of 136.13 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(methyl)phosphinic acid is sourced from PubChem (CID 10909622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).