tert-butyl(propan-2-yl)phosphinous acid

C7H17OP — CID 12507381

IUPACtert-butyl(propan-2-yl)phosphinous acid
SMILESCC(C)P(O)C(C)(C)C
InChIInChI=1S/C7H17OP/c1-6(2)9(8)7(3,4)5/h6,8H,1-5H3
InChIKeyPTSLVSVQGHTGGJ-UHFFFAOYSA-N
MW148.19 g/mol
LogP2.58
Rot. Bonds1

About tert-butyl(propan-2-yl)phosphinous acid

tert-butyl(propan-2-yl)phosphinous acid (PubChem CID 12507381) has the molecular formula C7H17OP and a molecular weight of 148.19 g/mol. Its IUPAC name is tert-butyl(propan-2-yl)phosphinous acid.

Molecular Properties

Compound Nametert-butyl(propan-2-yl)phosphinous acid
PubChem CID12507381
Molecular FormulaC7H17OP
Molecular Weight148.19 g/mol
Exact Mass148.10
IUPAC Nametert-butyl(propan-2-yl)phosphinous acid
SMILESCC(C)P(O)C(C)(C)C
InChIInChI=1S/C7H17OP/c1-6(2)9(8)7(3,4)5/h6,8H,1-5H3
InChIKeyPTSLVSVQGHTGGJ-UHFFFAOYSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl(propan-2-yl)phosphinous 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 tert-butyl(propan-2-yl)phosphinous acid?
The IUPAC name of tert-butyl(propan-2-yl)phosphinous acid (CID 12507381) is tert-butyl(propan-2-yl)phosphinous acid.
What is the SMILES notation for tert-butyl(propan-2-yl)phosphinous acid?
The canonical SMILES for tert-butyl(propan-2-yl)phosphinous acid is CC(C)P(O)C(C)(C)C.
What is the InChIKey of tert-butyl(propan-2-yl)phosphinous acid?
The InChIKey is PTSLVSVQGHTGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17OP/c1-6(2)9(8)7(3,4)5/h6,8H,1-5H3.
What are the key properties of tert-butyl(propan-2-yl)phosphinous acid?
tert-butyl(propan-2-yl)phosphinous acid has a molecular weight of 148.19 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(propan-2-yl)phosphinous acid is sourced from PubChem (CID 12507381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).