2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate

C15H19O12P — CID 23084523

IUPAC2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)OC(COP(=O)(O)O)(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C11H13O10P.C4H6O2/c1-4-8(12)19-11(20-9(13)5-2,21-10(14)6-3)7-18-22(15,16)17;1-3(2)4(5)6/h4-6H,1-3,7H2,(H2,15,16,17);1H2,2H3,(H,5,6)
InChIKeySVXIVRRRUYPZJQ-UHFFFAOYSA-N
MW422.28 g/mol
LogP0.58
Rot. Bonds10

About 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate

2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate (PubChem CID 23084523) has the molecular formula C15H19O12P and a molecular weight of 422.28 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate
PubChem CID23084523
Molecular FormulaC15H19O12P
Molecular Weight422.28 g/mol
Exact Mass422.06
IUPAC Name2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)OC(COP(=O)(O)O)(OC(=O)C=C)OC(=O)C=C
InChIInChI=1S/C11H13O10P.C4H6O2/c1-4-8(12)19-11(20-9(13)5-2,21-10(14)6-3)7-18-22(15,16)17;1-3(2)4(5)6/h4-6H,1-3,7H2,(H2,15,16,17);1H2,2H3,(H,5,6)
InChIKeySVXIVRRRUYPZJQ-UHFFFAOYSA-N
XLogP0.58
TPSA182.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 50.58
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'}

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Related Compounds

6-(phosphonooxymethyl)undecan-6-yl prop-2-enoate
CID 151317239
[2-phosphonooxy-2,2-di(prop-2-enoyloxy)ethyl] prop-2-enoate;prop-2-enoic acid
CID 146473580
2,2,2-tri(prop-2-enoyloxy)ethyl prop-2-enoate
CID 19981602
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid
CID 172847247
2,2-dimethylpropyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158445873
tert-butyl prop-2-enoate;2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 86609323
3-(phosphonooxymethyl)pentan-3-yl 2-methylprop-2-enoate
CID 87476353
2,2-diethylbut-3-enyl dihydrogen phosphate
CID 141443174
ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175208053
2,2,2-trimethoxyethyl dihydrogen phosphate
CID 54493735
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
CID 159257312

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate?
The IUPAC name of 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate (CID 23084523) is 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate.
What is the SMILES notation for 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate?
The canonical SMILES for 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate is C=C(C)C(=O)O.C=CC(=O)OC(COP(=O)(O)O)(OC(=O)C=C)OC(=O)C=C.
What is the InChIKey of 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate?
The InChIKey is SVXIVRRRUYPZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O10P.C4H6O2/c1-4-8(12)19-11(20-9(13)5-2,21-10(14)6-3)7-18-22(15,16)17;1-3(2)4(5)6/h4-6H,1-3,7H2,(H2,15,16,17);1H2,2H3,(H,5,6).
What are the key properties of 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate?
2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate has a molecular weight of 422.28 g/mol, XLogP of 0.58, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;[2-phosphonooxy-1,1-di(prop-2-enoyloxy)ethyl] prop-2-enoate is sourced from PubChem (CID 23084523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).