3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid

C11H19O8P — CID 87531056

IUPAC3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)OCCCOC(=O)C(=C)C.O=P(O)(O)O
InChIInChI=1S/C11H16O4.H3O4P/c1-8(2)10(12)14-6-5-7-15-11(13)9(3)4;1-5(2,3)4/h1,3,5-7H2,2,4H3;(H3,1,2,3,4)
InChIKeyOVKKXMXFVOMIHS-UHFFFAOYSA-N
MW310.24 g/mol
LogP0.69
Rot. Bonds6

About 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid

3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid (PubChem CID 87531056) has the molecular formula C11H19O8P and a molecular weight of 310.24 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid.

Molecular Properties

Compound Name3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
PubChem CID87531056
Molecular FormulaC11H19O8P
Molecular Weight310.24 g/mol
Exact Mass310.08
IUPAC Name3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)OCCCOC(=O)C(=C)C.O=P(O)(O)O
InChIInChI=1S/C11H16O4.H3O4P/c1-8(2)10(12)14-6-5-7-15-11(13)9(3)4;1-5(2,3)4/h1,3,5-7H2,2,4H3;(H3,1,2,3,4)
InChIKeyOVKKXMXFVOMIHS-UHFFFAOYSA-N
XLogP0.69
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-aminoethyl 2-methylprop-2-enoate;phosphoric acid
CID 86256248
methyl-[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 139843889
bis[4-(2-methylprop-2-enoyloxy)butyl]phosphinic acid
CID 87234792
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
methyl-[10-(2-methylprop-2-enoyloxy)decoxy]phosphinic acid
CID 164973932
3-[2-[3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]propyl 2-methylprop-2-enoate
CID 87490108
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
ethyl-[3-(2-methylprop-2-enoyloxy)propyl]phosphinic acid
CID 139789755
methyl-[2-(2-methylprop-2-enoyloxy)ethyl]phosphinic acid
CID 130373144
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-acetyloxybutyl 2-methylprop-2-enoate
CID 21403527

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid?
The IUPAC name of 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid (CID 87531056) is 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid.
What is the SMILES notation for 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid?
The canonical SMILES for 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid is C=C(C)C(=O)OCCCOC(=O)C(=C)C.O=P(O)(O)O.
What is the InChIKey of 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid?
The InChIKey is OVKKXMXFVOMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4.H3O4P/c1-8(2)10(12)14-6-5-7-15-11(13)9(3)4;1-5(2,3)4/h1,3,5-7H2,2,4H3;(H3,1,2,3,4).
What are the key properties of 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid?
3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid has a molecular weight of 310.24 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate;phosphoric acid is sourced from PubChem (CID 87531056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).