butan-2-yl(propyl)phosphinic acid

C7H17O2P — CID 87395468

IUPACbutan-2-yl(propyl)phosphinic acid
SMILESCCCP(=O)(O)C(C)CC
InChIInChI=1S/C7H17O2P/c1-4-6-10(8,9)7(3)5-2/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyBVXPQMLMFRUJCS-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.47
Rot. Bonds4

About butan-2-yl(propyl)phosphinic acid

butan-2-yl(propyl)phosphinic acid (PubChem CID 87395468) has the molecular formula C7H17O2P and a molecular weight of 164.18 g/mol. Its IUPAC name is butan-2-yl(propyl)phosphinic acid.

Molecular Properties

Compound Namebutan-2-yl(propyl)phosphinic acid
PubChem CID87395468
Molecular FormulaC7H17O2P
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Namebutan-2-yl(propyl)phosphinic acid
SMILESCCCP(=O)(O)C(C)CC
InChIInChI=1S/C7H17O2P/c1-4-6-10(8,9)7(3)5-2/h7H,4-6H2,1-3H3,(H,8,9)
InChIKeyBVXPQMLMFRUJCS-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butan-2-yl(propyl)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 butan-2-yl(propyl)phosphinic acid?
The IUPAC name of butan-2-yl(propyl)phosphinic acid (CID 87395468) is butan-2-yl(propyl)phosphinic acid.
What is the SMILES notation for butan-2-yl(propyl)phosphinic acid?
The canonical SMILES for butan-2-yl(propyl)phosphinic acid is CCCP(=O)(O)C(C)CC.
What is the InChIKey of butan-2-yl(propyl)phosphinic acid?
The InChIKey is BVXPQMLMFRUJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O2P/c1-4-6-10(8,9)7(3)5-2/h7H,4-6H2,1-3H3,(H,8,9).
What are the key properties of butan-2-yl(propyl)phosphinic acid?
butan-2-yl(propyl)phosphinic acid has a molecular weight of 164.18 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl(propyl)phosphinic acid is sourced from PubChem (CID 87395468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).