2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate

C18H28O13P2 — CID 87608005

IUPAC2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(O)OP(=O)(OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C
InChIInChI=1S/C18H28O13P2/c1-13(2)16(19)25-7-10-28-32(22,23)31-33(24,29-11-8-26-17(20)14(3)4)30-12-9-27-18(21)15(5)6/h1,3,5,7-12H2,2,4,6H3,(H,22,23)
InChIKeyWSZPNHZCKZJIOS-UHFFFAOYSA-N
MW514.36 g/mol
LogP2.62
Rot. Bonds17

About 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate

2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate (PubChem CID 87608005) has the molecular formula C18H28O13P2 and a molecular weight of 514.36 g/mol. Its IUPAC name is 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
PubChem CID87608005
Molecular FormulaC18H28O13P2
Molecular Weight514.36 g/mol
Exact Mass514.10
IUPAC Name2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOP(=O)(O)OP(=O)(OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C
InChIInChI=1S/C18H28O13P2/c1-13(2)16(19)25-7-10-28-32(22,23)31-33(24,29-11-8-26-17(20)14(3)4)30-12-9-27-18(21)15(5)6/h1,3,5,7-12H2,2,4,6H3,(H,22,23)
InChIKeyWSZPNHZCKZJIOS-UHFFFAOYSA-N
XLogP2.62
TPSA170.19 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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-[hydroxy(prop-2-enoxy)phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 88502358
2-dimethylphosphoryloxyethyl 2-methylprop-2-enoate
CID 54281312
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethylazanium
CID 143475819
2-dichlorophosphoryloxyethyl 2-methylprop-2-enoate
CID 13363024
dihydroxy(oxo)phosphanium;2-phosphonooxyethyl 2-methylprop-2-enoate
CID 175310560
dilithium;2-(2-methylprop-2-enoyloxy)ethyl phosphate
CID 122611995
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-[2-[(1S)-1-hydroxy-2-methylprop-2-enoxy]ethoxy-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 59266096
2-[hydroxy-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl-dimethyl-methyliodanuidylazanium
CID 177020326
carbanylium;bis(methyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinate);dihydroxide
CID 160914633
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
CID 87531056
2-bromoethyl-[2-(2-methylprop-2-enoyloxy)ethoxy]phosphinic acid
CID 175167107

Frequently Asked Questions

What is the IUPAC name of 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate (CID 87608005) is 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOP(=O)(O)OP(=O)(OCCOC(=O)C(=C)C)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate?
The InChIKey is WSZPNHZCKZJIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O13P2/c1-13(2)16(19)25-7-10-28-32(22,23)31-33(24,29-11-8-26-17(20)14(3)4)30-12-9-27-18(21)15(5)6/h1,3,5,7-12H2,2,4,6H3,(H,22,23).
What are the key properties of 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate?
2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate has a molecular weight of 514.36 g/mol, XLogP of 2.62, 17 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[2-(2-methylprop-2-enoyloxy)ethoxy]phosphoryloxy-hydroxyphosphoryl]oxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87608005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).