2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate

C14H22O6 — CID 58312172

IUPAC2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate
SMILESC=C(C)C(=O)OCC(=O)OC(C)(C)C(=O)OCC(C)C
InChIInChI=1S/C14H22O6/c1-9(2)7-19-13(17)14(5,6)20-11(15)8-18-12(16)10(3)4/h9H,3,7-8H2,1-2,4-6H3
InChIKeyUDWHVSZFXZXYPX-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.63
Rot. Bonds7

About 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate

2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate (PubChem CID 58312172) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate.

Molecular Properties

Compound Name2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate
PubChem CID58312172
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate
SMILESC=C(C)C(=O)OCC(=O)OC(C)(C)C(=O)OCC(C)C
InChIInChI=1S/C14H22O6/c1-9(2)7-19-13(17)14(5,6)20-11(15)8-18-12(16)10(3)4/h9H,3,7-8H2,1-2,4-6H3
InChIKeyUDWHVSZFXZXYPX-UHFFFAOYSA-N
XLogP1.63
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] 2-[3-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]-3-oxoprop-1-en-2-yl]oxy-2-methylpropanoate
CID 146474080
[2-methyl-1-(2-methylpropoxy)-1-oxopropan-2-yl] 2,2-dimethylpropanoate
CID 153381894
2-methylpropyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 153381891
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 88566374
[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] 2-acetyloxy-2-methylpropanoate
CID 118546550
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
1-[1-[1-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yl 2-bromo-2-methylpropanoate
CID 58040730
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-methylpropyl 2-methylprop-2-enoate;tris(prop-2-enoic acid)
CID 162192906
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate?
The IUPAC name of 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate (CID 58312172) is 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate.
What is the SMILES notation for 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate?
The canonical SMILES for 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate is C=C(C)C(=O)OCC(=O)OC(C)(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate?
The InChIKey is UDWHVSZFXZXYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O6/c1-9(2)7-19-13(17)14(5,6)20-11(15)8-18-12(16)10(3)4/h9H,3,7-8H2,1-2,4-6H3.
What are the key properties of 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate?
2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate has a molecular weight of 286.32 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxypropanoate is sourced from PubChem (CID 58312172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).