bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate

C12H15O7P — CID 87104189

IUPACbis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OP(=O)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C12H15O7P/c1-7(2)10(13)17-20(16,18-11(14)8(3)4)19-12(15)9(5)6/h1,3,5H2,2,4,6H3
InChIKeySLOYVEWHYIBMKY-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.45
Rot. Bonds6

About bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate

bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate (PubChem CID 87104189) has the molecular formula C12H15O7P and a molecular weight of 302.22 g/mol. Its IUPAC name is bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate
PubChem CID87104189
Molecular FormulaC12H15O7P
Molecular Weight302.22 g/mol
Exact Mass302.06
IUPAC Namebis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OP(=O)(OC(=O)C(=C)C)OC(=O)C(=C)C
InChIInChI=1S/C12H15O7P/c1-7(2)10(13)17-20(16,18-11(14)8(3)4)19-12(15)9(5)6/h1,3,5H2,2,4,6H3
InChIKeySLOYVEWHYIBMKY-UHFFFAOYSA-N
XLogP2.45
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

sodium;hydride;phosphono 2-methylprop-2-enoate
CID 174967425
2-methylprop-1-ene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 170331800
prop-1-en-2-yl 2-methylprop-2-enoate;silane
CID 173354947
acetyl 2-methylprop-2-eneperoxoate;phosphoric acid
CID 88670012
2-methylprop-2-enoyloxymethanethioic S-acid
CID 175561499
sodium;acetyl 2-methylprop-2-enoate;hydride
CID 174757857
but-2-en-2-yl 2-methylprop-2-enoate
CID 57052528
[2-(2-methylprop-2-enoylperoxy)-2-oxoacetyl] 2-methylprop-2-enoate
CID 87083880
2-methylbuta-1,3-diene;2-methylprop-2-enoyl 2-methylprop-2-enoate
CID 87864709
1,2-dimethoxyethane;methyl 2-methylprop-2-enoate
CID 175106203
acetyloxycarbonyl 2-methylprop-2-enoate
CID 118497661
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate?
The IUPAC name of bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate (CID 87104189) is bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate.
What is the SMILES notation for bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate?
The canonical SMILES for bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate is C=C(C)C(=O)OP(=O)(OC(=O)C(=C)C)OC(=O)C(=C)C.
What is the InChIKey of bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate?
The InChIKey is SLOYVEWHYIBMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O7P/c1-7(2)10(13)17-20(16,18-11(14)8(3)4)19-12(15)9(5)6/h1,3,5H2,2,4,6H3.
What are the key properties of bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate?
bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate has a molecular weight of 302.22 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoyloxy)phosphoryl 2-methylprop-2-enoate is sourced from PubChem (CID 87104189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).