tert-butylphosphonous acid

C4H11O2P — CID 14945263

IUPACtert-butylphosphonous acid
SMILESCC(C)(C)P(O)O
InChIInChI=1S/C4H11O2P/c1-4(2,3)7(5)6/h5-6H,1-3H3
InChIKeyBRCPNAAQPPDDMR-UHFFFAOYSA-N
MW122.10 g/mol
LogP1.08
Rot. Bonds

About tert-butylphosphonous acid

tert-butylphosphonous acid (PubChem CID 14945263) has the molecular formula C4H11O2P and a molecular weight of 122.10 g/mol. Its IUPAC name is tert-butylphosphonous acid.

Molecular Properties

Compound Nametert-butylphosphonous acid
PubChem CID14945263
Molecular FormulaC4H11O2P
Molecular Weight122.10 g/mol
Exact Mass122.05
IUPAC Nametert-butylphosphonous acid
SMILESCC(C)(C)P(O)O
InChIInChI=1S/C4H11O2P/c1-4(2,3)7(5)6/h5-6H,1-3H3
InChIKeyBRCPNAAQPPDDMR-UHFFFAOYSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.10
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butylphosphonous acid?
The IUPAC name of tert-butylphosphonous acid (CID 14945263) is tert-butylphosphonous acid.
What is the SMILES notation for tert-butylphosphonous acid?
The canonical SMILES for tert-butylphosphonous acid is CC(C)(C)P(O)O.
What is the InChIKey of tert-butylphosphonous acid?
The InChIKey is BRCPNAAQPPDDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O2P/c1-4(2,3)7(5)6/h5-6H,1-3H3.
What are the key properties of tert-butylphosphonous acid?
tert-butylphosphonous acid has a molecular weight of 122.10 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylphosphonous acid is sourced from PubChem (CID 14945263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).