2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid

C11H17O7P — CID 102099810

IUPAC2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
SMILESC=C(C)C(=O)OCC(CP(=O)(O)O)OC(=O)C(=C)C
InChIInChI=1S/C11H17O7P/c1-7(2)10(12)17-5-9(6-19(14,15)16)18-11(13)8(3)4/h9H,1,3,5-6H2,2,4H3,(H2,14,15,16)
InChIKeyHGIZAKKYQCDFHW-UHFFFAOYSA-N
MW292.22 g/mol
LogP0.77
Rot. Bonds7

About 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid

2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid (PubChem CID 102099810) has the molecular formula C11H17O7P and a molecular weight of 292.22 g/mol. Its IUPAC name is 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid.

Molecular Properties

Compound Name2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
PubChem CID102099810
Molecular FormulaC11H17O7P
Molecular Weight292.22 g/mol
Exact Mass292.07
IUPAC Name2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid
SMILESC=C(C)C(=O)OCC(CP(=O)(O)O)OC(=O)C(=C)C
InChIInChI=1S/C11H17O7P/c1-7(2)10(12)17-5-9(6-19(14,15)16)18-11(13)8(3)4/h9H,1,3,5-6H2,2,4H3,(H2,14,15,16)
InChIKeyHGIZAKKYQCDFHW-UHFFFAOYSA-N
XLogP0.77
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

ethane-1,2-diol;[3-hydroxy-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
CID 22129264
2-(2-methylprop-2-enoyloxy)propylphosphonic acid
CID 19789204
2-[1,3-bis(2-methylprop-2-enoyloxy)propan-2-yloxycarbonyl]prop-2-enoic acid
CID 54328343
butane-1,4-diol;2-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 122641854
2,3-diacetyloxypropyl 2-methylprop-2-enoate
CID 18979747
2-(2-methylprop-2-enoyloxy)but-3-enylphosphonic acid
CID 174524119
ethyl 2-methylidene-4,5-bis(2-methylprop-2-enoyloxy)pentanoate
CID 67882893
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
2-phosphonooxypentyl 2-methylprop-2-enoate
CID 170162383
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
(1-hydroxy-3-phosphonooxypropan-2-yl) 2-methylprop-2-enoate
CID 22259480
[2-methyl-4-(2-methylprop-2-enoyloxy)butyl]phosphonic acid
CID 139818991

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid?
The IUPAC name of 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid (CID 102099810) is 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid.
What is the SMILES notation for 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid?
The canonical SMILES for 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid is C=C(C)C(=O)OCC(CP(=O)(O)O)OC(=O)C(=C)C.
What is the InChIKey of 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid?
The InChIKey is HGIZAKKYQCDFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O7P/c1-7(2)10(12)17-5-9(6-19(14,15)16)18-11(13)8(3)4/h9H,1,3,5-6H2,2,4H3,(H2,14,15,16).
What are the key properties of 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid?
2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid has a molecular weight of 292.22 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-methylprop-2-enoyloxy)propylphosphonic acid is sourced from PubChem (CID 102099810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).