1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate

C11H18O7 — CID 88597969

IUPAC1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(=O)OOOC(C)(C)C
InChIInChI=1S/C11H18O7/c1-7(2)9(12)14-8(3)15-10(13)16-18-17-11(4,5)6/h8H,1H2,2-6H3
InChIKeyIMBDOWXHSKOKHX-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.27
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate

1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate (PubChem CID 88597969) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate
PubChem CID88597969
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Name1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(=O)OOOC(C)(C)C
InChIInChI=1S/C11H18O7/c1-7(2)9(12)14-8(3)15-10(13)16-18-17-11(4,5)6/h8H,1H2,2-6H3
InChIKeyIMBDOWXHSKOKHX-UHFFFAOYSA-N
XLogP2.27
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
tert-butyl 2-methylprop-2-eneperoxoate
CID 14092181
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
calcium 1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 19966600
1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate
CID 173400140
2-[(2-methylpropan-2-yl)oxyperoxy]-2-oxoacetic acid
CID 22461779
1-(2-methylbutan-2-yloxycarbonyloxy)ethyl 2-methylprop-2-eneperoxoate
CID 87518463
1,1-difluoro-2-[1-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonic acid
CID 58491434
methanol;2-(2-methylprop-2-enoyloxy)propanoic acid
CID 174868597
azane;(3-chloro-3-methylbutan-2-yl) 2-methylprop-2-enoate
CID 87146988

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate (CID 88597969) is 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC(=O)OOOC(C)(C)C.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate?
The InChIKey is IMBDOWXHSKOKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O7/c1-7(2)9(12)14-8(3)15-10(13)16-18-17-11(4,5)6/h8H,1H2,2-6H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate?
1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate has a molecular weight of 262.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxyperoxycarbonyloxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 88597969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).