methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium

C8H14O3P+ — CID 59049083

IUPACmethyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
SMILESC=C(C)C(=O)OC(C)(C)[P+](C)=O
InChIInChI=1S/C8H14O3P/c1-6(2)7(9)11-8(3,4)12(5)10/h1H2,2-5H3/q+1
InChIKeyBPFOZBSTHBJGFV-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.30
Rot. Bonds3

About methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium

methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium (PubChem CID 59049083) has the molecular formula C8H14O3P+ and a molecular weight of 189.17 g/mol. Its IUPAC name is methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium.

Molecular Properties

Compound Namemethyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
PubChem CID59049083
Molecular FormulaC8H14O3P+
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Namemethyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
SMILESC=C(C)C(=O)OC(C)(C)[P+](C)=O
InChIInChI=1S/C8H14O3P/c1-6(2)7(9)11-8(3,4)12(5)10/h1H2,2-5H3/q+1
InChIKeyBPFOZBSTHBJGFV-UHFFFAOYSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-hydrazinylpropan-2-yl 2-methylprop-2-enoate
CID 163490890
[2-methyl-3,3-bis(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 142750800
2-[2-(2-methylprop-2-enoyloxy)propan-2-yldiazenyl]propan-2-yl 2-methylprop-2-enoate
CID 150274011
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
CID 151778354
2-(4-tert-butylphenyl)propan-2-yl 2-methylprop-2-enoate
CID 118193786
1,1,2-triaminoethyl 2-methylprop-2-enoate;hydrochloride
CID 87615318
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
3-[1,1-bis(2-methylprop-2-enoyloxy)ethoxy]-3-oxopropanoic acid
CID 18539506
bis(2-methylprop-2-enoyloxy)-oxophosphanium
CID 87559559
1,1-bis(dihydroxyphosphinothioyl)ethyl 2-methylprop-2-enoate
CID 91322231

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium?
The IUPAC name of methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium (CID 59049083) is methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium.
What is the SMILES notation for methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium?
The canonical SMILES for methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium is C=C(C)C(=O)OC(C)(C)[P+](C)=O.
What is the InChIKey of methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium?
The InChIKey is BPFOZBSTHBJGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3P/c1-6(2)7(9)11-8(3,4)12(5)10/h1H2,2-5H3/q+1.
What are the key properties of methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium?
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium has a molecular weight of 189.17 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium is sourced from PubChem (CID 59049083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).