2-methylprop-1-enylphosphonic acid

C4H9O3P — CID 12009933

IUPAC2-methylprop-1-enylphosphonic acid
SMILESCC(C)=CP(=O)(O)O
InChIInChI=1S/C4H9O3P/c1-4(2)3-8(5,6)7/h3H,1-2H3,(H2,5,6,7)
InChIKeyNKYMCSZQHTYOHG-UHFFFAOYSA-N
MW136.09 g/mol
LogP1.09
Rot. Bonds1

About 2-methylprop-1-enylphosphonic acid

2-methylprop-1-enylphosphonic acid (PubChem CID 12009933) has the molecular formula C4H9O3P and a molecular weight of 136.09 g/mol. Its IUPAC name is 2-methylprop-1-enylphosphonic acid.

Molecular Properties

Compound Name2-methylprop-1-enylphosphonic acid
PubChem CID12009933
Molecular FormulaC4H9O3P
Molecular Weight136.09 g/mol
Exact Mass136.03
IUPAC Name2-methylprop-1-enylphosphonic acid
SMILESCC(C)=CP(=O)(O)O
InChIInChI=1S/C4H9O3P/c1-4(2)3-8(5,6)7/h3H,1-2H3,(H2,5,6,7)
InChIKeyNKYMCSZQHTYOHG-UHFFFAOYSA-N
XLogP1.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.09
LogP ≤ 51.09
H-Bond Donors ≤ 52
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 2-methylprop-1-enylphosphonic acid?
The IUPAC name of 2-methylprop-1-enylphosphonic acid (CID 12009933) is 2-methylprop-1-enylphosphonic acid.
What is the SMILES notation for 2-methylprop-1-enylphosphonic acid?
The canonical SMILES for 2-methylprop-1-enylphosphonic acid is CC(C)=CP(=O)(O)O.
What is the InChIKey of 2-methylprop-1-enylphosphonic acid?
The InChIKey is NKYMCSZQHTYOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3P/c1-4(2)3-8(5,6)7/h3H,1-2H3,(H2,5,6,7).
What are the key properties of 2-methylprop-1-enylphosphonic acid?
2-methylprop-1-enylphosphonic acid has a molecular weight of 136.09 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-1-enylphosphonic acid is sourced from PubChem (CID 12009933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).