ditert-butylphosphinic acid

C8H19O2P — CID 11767225

IUPACditert-butylphosphinic acid
SMILESCC(C)(C)P(=O)(O)C(C)(C)C
InChIInChI=1S/C8H19O2P/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3,(H,9,10)
InChIKeyGZWFFPNAVPOUBD-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.85
Rot. Bonds

About ditert-butylphosphinic acid

ditert-butylphosphinic acid (PubChem CID 11767225) has the molecular formula C8H19O2P and a molecular weight of 178.21 g/mol. Its IUPAC name is ditert-butylphosphinic acid.

Molecular Properties

Compound Nameditert-butylphosphinic acid
PubChem CID11767225
Molecular FormulaC8H19O2P
Molecular Weight178.21 g/mol
Exact Mass178.11
IUPAC Nameditert-butylphosphinic acid
SMILESCC(C)(C)P(=O)(O)C(C)(C)C
InChIInChI=1S/C8H19O2P/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3,(H,9,10)
InChIKeyGZWFFPNAVPOUBD-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butylphosphinic acid?
The IUPAC name of ditert-butylphosphinic acid (CID 11767225) is ditert-butylphosphinic acid.
What is the SMILES notation for ditert-butylphosphinic acid?
The canonical SMILES for ditert-butylphosphinic acid is CC(C)(C)P(=O)(O)C(C)(C)C.
What is the InChIKey of ditert-butylphosphinic acid?
The InChIKey is GZWFFPNAVPOUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19O2P/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3,(H,9,10).
What are the key properties of ditert-butylphosphinic acid?
ditert-butylphosphinic acid has a molecular weight of 178.21 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butylphosphinic acid is sourced from PubChem (CID 11767225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).