(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane

C19H26F4O6 — CID 54085907

IUPAC(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane
SMILESC=CC(=O)OCC(=C)C.C=CC(=O)OCC(C)(C)COC(=O)C=C.FC(F)(F)F
InChIInChI=1S/C11H16O4.C7H10O2.CF4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2;1-4-7(8)9-5-6(2)3;2-1(3,4)5/h5-6H,1-2,7-8H2,3-4H3;4H,1-2,5H2,3H3;
InChIKeyMQLCEOLWBVDGCO-UHFFFAOYSA-N
MW426.40 g/mol
LogP4.24
Rot. Bonds9

About (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane

(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane (PubChem CID 54085907) has the molecular formula C19H26F4O6 and a molecular weight of 426.40 g/mol. Its IUPAC name is (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane.

Molecular Properties

Compound Name(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane
PubChem CID54085907
Molecular FormulaC19H26F4O6
Molecular Weight426.40 g/mol
Exact Mass426.17
IUPAC Name(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane
SMILESC=CC(=O)OCC(=C)C.C=CC(=O)OCC(C)(C)COC(=O)C=C.FC(F)(F)F
InChIInChI=1S/C11H16O4.C7H10O2.CF4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2;1-4-7(8)9-5-6(2)3;2-1(3,4)5/h5-6H,1-2,7-8H2,3-4H3;4H,1-2,5H2,3H3;
InChIKeyMQLCEOLWBVDGCO-UHFFFAOYSA-N
XLogP4.24
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 16680
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
2,2-dimethylbutyl prop-2-enoate;methanediol
CID 143956030
2,2-dimethylpropyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158445873
boranuide;[3-prop-2-enoyloxy-2,2-bis(prop-2-enoyloxymethyl)propyl] prop-2-enoate
CID 161197836
2-methylprop-2-enoxymethyl prop-2-enoate
CID 140613206
2,2,3,3,3-pentafluoropropyl prop-2-enoate;2,2,2-trifluoroethyl prop-2-enoate
CID 134264826
[2,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)butyl] prop-2-enoate
CID 21049849
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl prop-2-enoate
CID 151064296
[3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-10-prop-2-enoyloxy-2,2,9,9-tetrakis(prop-2-enoyloxymethyl)decyl] prop-2-enoate
CID 118919135
2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
diethyl-methyl-(2-methyl-1-prop-2-enoyloxypropan-2-yl)azanium
CID 156790116

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane?
The IUPAC name of (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane (CID 54085907) is (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane.
What is the SMILES notation for (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane?
The canonical SMILES for (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane is C=CC(=O)OCC(=C)C.C=CC(=O)OCC(C)(C)COC(=O)C=C.FC(F)(F)F.
What is the InChIKey of (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane?
The InChIKey is MQLCEOLWBVDGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4.C7H10O2.CF4/c1-5-9(12)14-7-11(3,4)8-15-10(13)6-2;1-4-7(8)9-5-6(2)3;2-1(3,4)5/h5-6H,1-2,7-8H2,3-4H3;4H,1-2,5H2,3H3;.
What are the key properties of (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane?
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane has a molecular weight of 426.40 g/mol, XLogP of 4.24, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane is sourced from PubChem (CID 54085907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).