methyl(2-methylprop-2-enoxy)phosphinate

C5H10O3P- — CID 20707014

IUPACmethyl(2-methylprop-2-enoxy)phosphinate
SMILESC=C(C)COP(C)(=O)[O-]
InChIInChI=1S/C5H11O3P/c1-5(2)4-8-9(3,6)7/h1,4H2,2-3H3,(H,6,7)/p-1
InChIKeyFMMPXJQJTJDNHY-UHFFFAOYSA-M
MW149.11 g/mol
LogP0.76
Rot. Bonds3

About methyl(2-methylprop-2-enoxy)phosphinate

methyl(2-methylprop-2-enoxy)phosphinate (PubChem CID 20707014) has the molecular formula C5H10O3P- and a molecular weight of 149.11 g/mol. Its IUPAC name is methyl(2-methylprop-2-enoxy)phosphinate.

Molecular Properties

Compound Namemethyl(2-methylprop-2-enoxy)phosphinate
PubChem CID20707014
Molecular FormulaC5H10O3P-
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Namemethyl(2-methylprop-2-enoxy)phosphinate
SMILESC=C(C)COP(C)(=O)[O-]
InChIInChI=1S/C5H11O3P/c1-5(2)4-8-9(3,6)7/h1,4H2,2-3H3,(H,6,7)/p-1
InChIKeyFMMPXJQJTJDNHY-UHFFFAOYSA-M
XLogP0.76
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(2-methylprop-2-enoxy)phosphinate?
The IUPAC name of methyl(2-methylprop-2-enoxy)phosphinate (CID 20707014) is methyl(2-methylprop-2-enoxy)phosphinate.
What is the SMILES notation for methyl(2-methylprop-2-enoxy)phosphinate?
The canonical SMILES for methyl(2-methylprop-2-enoxy)phosphinate is C=C(C)COP(C)(=O)[O-].
What is the InChIKey of methyl(2-methylprop-2-enoxy)phosphinate?
The InChIKey is FMMPXJQJTJDNHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O3P/c1-5(2)4-8-9(3,6)7/h1,4H2,2-3H3,(H,6,7)/p-1.
What are the key properties of methyl(2-methylprop-2-enoxy)phosphinate?
methyl(2-methylprop-2-enoxy)phosphinate has a molecular weight of 149.11 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2-methylprop-2-enoxy)phosphinate is sourced from PubChem (CID 20707014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).