2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid

C23H36O18P2 — CID 172847247

IUPAC2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)OCCOP(=O)(OCCOC(=O)C=C)OCCOC(=O)C=C.O=P(O)(O)O
InChIInChI=1S/C15H21O10P.2C4H6O2.H3O4P/c1-4-13(16)20-7-10-23-26(19,24-11-8-21-14(17)5-2)25-12-9-22-15(18)6-3;2*1-3(2)4(5)6;1-5(2,3)4/h4-6H,1-3,7-12H2;2*1H2,2H3,(H,5,6);(H3,1,2,3,4)
InChIKeyXOXXQHZMHFDWSX-UHFFFAOYSA-N
MW662.47 g/mol
LogP1.70
Rot. Bonds17

About 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid

2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid (PubChem CID 172847247) has the molecular formula C23H36O18P2 and a molecular weight of 662.47 g/mol. Its IUPAC name is 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid.

Molecular Properties

Compound Name2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid
PubChem CID172847247
Molecular FormulaC23H36O18P2
Molecular Weight662.47 g/mol
Exact Mass662.14
IUPAC Name2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)OCCOP(=O)(OCCOC(=O)C=C)OCCOC(=O)C=C.O=P(O)(O)O
InChIInChI=1S/C15H21O10P.2C4H6O2.H3O4P/c1-4-13(16)20-7-10-23-26(19,24-11-8-21-14(17)5-2)25-12-9-22-15(18)6-3;2*1-3(2)4(5)6;1-5(2,3)4/h4-6H,1-3,7-12H2;2*1H2,2H3,(H,5,6);(H3,1,2,3,4)
InChIKeyXOXXQHZMHFDWSX-UHFFFAOYSA-N
XLogP1.70
TPSA276.02 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.47
LogP ≤ 51.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776
2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 87934107
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
2-prop-2-enoyloxyethoxy(2-prop-2-enoyloxyethyl)phosphinic acid
CID 87504188
2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate
CID 175833181
bis(2-prop-2-enoyloxyethyl) phosphate
CID 22226175
magnesium 2-prop-2-enoyloxyethyl phosphate
CID 174879443
tricopper;bis(bis[2-(2-methylprop-2-enoyloxy)ethyl] phosphate);bis(bis(2-prop-2-enoyloxyethyl) phosphate);methane;2-(2-methylprop-2-enoyloxy)ethyl phosphate;2-prop-2-enoyloxyethyl phosphate
CID 162157563
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271
2-methylprop-2-enoic acid;propan-2-one;prop-2-enoic acid
CID 174363133
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid?
The IUPAC name of 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid (CID 172847247) is 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid.
What is the SMILES notation for 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid?
The canonical SMILES for 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid is C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)OCCOP(=O)(OCCOC(=O)C=C)OCCOC(=O)C=C.O=P(O)(O)O.
What is the InChIKey of 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid?
The InChIKey is XOXXQHZMHFDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O10P.2C4H6O2.H3O4P/c1-4-13(16)20-7-10-23-26(19,24-11-8-21-14(17)5-2)25-12-9-22-15(18)6-3;2*1-3(2)4(5)6;1-5(2,3)4/h4-6H,1-3,7-12H2;2*1H2,2H3,(H,5,6);(H3,1,2,3,4).
What are the key properties of 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid?
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid has a molecular weight of 662.47 g/mol, XLogP of 1.70, 17 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid is sourced from PubChem (CID 172847247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).