bis(2-methylpropyl)phosphinic acid

C8H19O2P — CID 10233207

IUPACbis(2-methylpropyl)phosphinic acid
SMILESCC(C)CP(=O)(O)CC(C)C
InChIInChI=1S/C8H19O2P/c1-7(2)5-11(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,10)
InChIKeyDRDKFCAHTAHYER-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.57
Rot. Bonds4

About bis(2-methylpropyl)phosphinic acid

bis(2-methylpropyl)phosphinic acid (PubChem CID 10233207) has the molecular formula C8H19O2P and a molecular weight of 178.21 g/mol. Its IUPAC name is bis(2-methylpropyl)phosphinic acid.

Molecular Properties

Compound Namebis(2-methylpropyl)phosphinic acid
PubChem CID10233207
Molecular FormulaC8H19O2P
Molecular Weight178.21 g/mol
Exact Mass178.11
IUPAC Namebis(2-methylpropyl)phosphinic acid
SMILESCC(C)CP(=O)(O)CC(C)C
InChIInChI=1S/C8H19O2P/c1-7(2)5-11(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,10)
InChIKeyDRDKFCAHTAHYER-UHFFFAOYSA-N
XLogP2.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(2-methylpropyl)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

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)phosphinic acid?
The IUPAC name of bis(2-methylpropyl)phosphinic acid (CID 10233207) is bis(2-methylpropyl)phosphinic acid.
What is the SMILES notation for bis(2-methylpropyl)phosphinic acid?
The canonical SMILES for bis(2-methylpropyl)phosphinic acid is CC(C)CP(=O)(O)CC(C)C.
What is the InChIKey of bis(2-methylpropyl)phosphinic acid?
The InChIKey is DRDKFCAHTAHYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2P/c1-7(2)5-11(9,10)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,10).
What are the key properties of bis(2-methylpropyl)phosphinic acid?
bis(2-methylpropyl)phosphinic acid has a molecular weight of 178.21 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)phosphinic acid is sourced from PubChem (CID 10233207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).