[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid

C14H17O12P — CID 146473580

IUPAC[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OCC(OC(=O)C=C)(OC(=O)C=C)OP(=O)(O)O
InChIInChI=1S/C11H13O10P.C3H4O2/c1-4-8(12)18-7-11(19-9(13)5-2,20-10(14)6-3)21-22(15,16)17;1-2-3(4)5/h4-6H,1-3,7H2,(H2,15,16,17);2H,1H2,(H,4,5)
InChIKeyNKFVEPJWSJLUJE-UHFFFAOYSA-N
MW408.25 g/mol
LogP0.19
Rot. Bonds10

About [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid

[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid (PubChem CID 146473580) has the molecular formula C14H17O12P and a molecular weight of 408.25 g/mol. Its IUPAC name is [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid.

Molecular Properties

Compound Name[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid
PubChem CID146473580
Molecular FormulaC14H17O12P
Molecular Weight408.25 g/mol
Exact Mass408.05
IUPAC Name[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid
SMILESC=CC(=O)O.C=CC(=O)OCC(OC(=O)C=C)(OC(=O)C=C)OP(=O)(O)O
InChIInChI=1S/C11H13O10P.C3H4O2/c1-4-8(12)18-7-11(19-9(13)5-2,20-10(14)6-3)21-22(15,16)17;1-2-3(4)5/h4-6H,1-3,7H2,(H2,15,16,17);2H,1H2,(H,4,5)
InChIKeyNKFVEPJWSJLUJE-UHFFFAOYSA-N
XLogP0.19
TPSA182.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate
CID 23084523
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
[2-[[hydroxy-[2-methyl-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propoxy]phosphoryl]oxymethyl]-2-methyl-3-prop-2-enoyloxypropyl] prop-2-enoate
CID 171853521
1,1,2-tris(trimethylsilyloxy)ethyl prop-2-enoate
CID 22677159
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
(1-phenyl-1-phosphonooxypropyl) prop-2-enoate
CID 174732463
methyl dihydrogen phosphate;prop-2-enoic acid
CID 159593084
ethane-1,2-diamine;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 131736476
3-phosphonoperoxypropyl prop-2-enoate
CID 175459506
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
[2,2-bis(hydroxymethyl)-3-prop-2-enoyloxypropyl] prop-2-enoate;[2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 159645135

Frequently Asked Questions

What is the IUPAC name of [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid?
The IUPAC name of [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid (CID 146473580) is [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid.
What is the SMILES notation for [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid?
The canonical SMILES for [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid is C=CC(=O)O.C=CC(=O)OCC(OC(=O)C=C)(OC(=O)C=C)OP(=O)(O)O.
What is the InChIKey of [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid?
The InChIKey is NKFVEPJWSJLUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O10P.C3H4O2/c1-4-8(12)18-7-11(19-9(13)5-2,20-10(14)6-3)21-22(15,16)17;1-2-3(4)5/h4-6H,1-3,7H2,(H2,15,16,17);2H,1H2,(H,4,5).
What are the key properties of [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid?
[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid has a molecular weight of 408.25 g/mol, XLogP of 0.19, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid is sourced from PubChem (CID 146473580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).