[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium

C6H10O4P2+2 — CID 151778354

IUPAC[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
SMILESC=C(C)C(=O)OC(C)([PH+]=O)[PH+]=O
InChIInChI=1S/C6H8O4P2/c1-4(2)5(7)10-6(3,11-8)12-9/h1H2,2-3H3/p+2
InChIKeyRUBICGYJDDTBQW-UHFFFAOYSA-P
MW208.09 g/mol
LogP1.83
Rot. Bonds4

About [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium

[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium (PubChem CID 151778354) has the molecular formula C6H10O4P2+2 and a molecular weight of 208.09 g/mol. Its IUPAC name is [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium.

Molecular Properties

Compound Name[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
PubChem CID151778354
Molecular FormulaC6H10O4P2+2
Molecular Weight208.09 g/mol
Exact Mass208.00
IUPAC Name[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium
SMILESC=C(C)C(=O)OC(C)([PH+]=O)[PH+]=O
InChIInChI=1S/C6H8O4P2/c1-4(2)5(7)10-6(3,11-8)12-9/h1H2,2-3H3/p+2
InChIKeyRUBICGYJDDTBQW-UHFFFAOYSA-P
XLogP1.83
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-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-(2-methylprop-2-enoyloxy)pentan-2-yl 2-methylprop-2-enoate
CID 141014982
2-hydrazinylpropan-2-yl 2-methylprop-2-enoate
CID 163490890
2-ethoxybutan-2-yl 2-methylprop-2-enoate
CID 175455949
methyl-[2-(2-methylprop-2-enoyloxy)propan-2-yl]-oxophosphanium
CID 59049083
[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
2-methylpent-3-yn-2-yl 2-methylprop-2-enoate
CID 164803611
3-amino-2,2-dimethyl-3-(2-methylprop-2-enoyloxy)butanoic acid
CID 87528916
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
CID 87627513

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium?
The IUPAC name of [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium (CID 151778354) is [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium.
What is the SMILES notation for [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium?
The canonical SMILES for [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium is C=C(C)C(=O)OC(C)([PH+]=O)[PH+]=O.
What is the InChIKey of [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium?
The InChIKey is RUBICGYJDDTBQW-UHFFFAOYSA-P. The full InChI is InChI=1S/C6H8O4P2/c1-4(2)5(7)10-6(3,11-8)12-9/h1H2,2-3H3/p+2.
What are the key properties of [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium?
[1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium has a molecular weight of 208.09 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylprop-2-enoyloxy)-1-oxophosphaniumylethyl]-oxophosphanium is sourced from PubChem (CID 151778354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).