2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid

C11H19O9P — CID 175461208

IUPAC2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCC1CO1.O=P(O)(O)O
InChIInChI=1S/C7H10O3.C4H6O2.H3O4P/c1-5(2)7(8)10-4-6-3-9-6;1-3(2)4(5)6;1-5(2,3)4/h6H,1,3-4H2,2H3;1H2,2H3,(H,5,6);(H3,1,2,3,4)
InChIKeyDSNBEUJEKGYIRY-UHFFFAOYSA-N
MW326.24 g/mol
LogP0.22
Rot. Bonds4

About 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid

2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid (PubChem CID 175461208) has the molecular formula C11H19O9P and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid.

Molecular Properties

Compound Name2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
PubChem CID175461208
Molecular FormulaC11H19O9P
Molecular Weight326.24 g/mol
Exact Mass326.08
IUPAC Name2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCC1CO1.O=P(O)(O)O
InChIInChI=1S/C7H10O3.C4H6O2.H3O4P/c1-5(2)7(8)10-4-6-3-9-6;1-3(2)4(5)6;1-5(2,3)4/h6H,1,3-4H2,2H3;1H2,2H3,(H,5,6);(H3,1,2,3,4)
InChIKeyDSNBEUJEKGYIRY-UHFFFAOYSA-N
XLogP0.22
TPSA153.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric 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

[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
2-methylprop-2-enenitrile;oxiran-2-ylmethyl 2-methylprop-2-enoate;hydrate
CID 174885519
2-methylidenehexanoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87254151
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
but-3-enoic acid;ethene;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 175778855
3-methylbut-2-enamide;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 158470137
butyl prop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87732224
oxiran-2-ylmethyl 2-methylprop-2-enoate;phenylmethanamine
CID 175327746

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid?
The IUPAC name of 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid (CID 175461208) is 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid.
What is the SMILES notation for 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid?
The canonical SMILES for 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid is C=C(C)C(=O)O.C=C(C)C(=O)OCC1CO1.O=P(O)(O)O.
What is the InChIKey of 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid?
The InChIKey is DSNBEUJEKGYIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C4H6O2.H3O4P/c1-5(2)7(8)10-4-6-3-9-6;1-3(2)4(5)6;1-5(2,3)4/h6H,1,3-4H2,2H3;1H2,2H3,(H,5,6);(H3,1,2,3,4).
What are the key properties of 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid?
2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid has a molecular weight of 326.24 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid is sourced from PubChem (CID 175461208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).