[4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate

C13H20O6 — CID 59414810

IUPAC[4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COCC1OC(=O)OC(C)(C)C
InChIInChI=1S/C13H20O6/c1-8(2)11(14)17-9-6-16-7-10(9)18-12(15)19-13(3,4)5/h9-10H,1,6-7H2,2-5H3
InChIKeyLJEUFJNYWBCOHT-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.82
Rot. Bonds3

About [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate

[4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate (PubChem CID 59414810) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate
PubChem CID59414810
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name[4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COCC1OC(=O)OC(C)(C)C
InChIInChI=1S/C13H20O6/c1-8(2)11(14)17-9-6-16-7-10(9)18-12(15)19-13(3,4)5/h9-10H,1,6-7H2,2-5H3
InChIKeyLJEUFJNYWBCOHT-UHFFFAOYSA-N
XLogP1.82
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ditert-butyl 5-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 89116229
[(3R,4R,5S)-6-acetyloxy-4,5-bis(2-methylprop-2-enoyloxy)oxan-3-yl] 2-methylprop-2-enoate
CID 144922848
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
tert-butyl 4-(2-methylprop-2-enoyloxy)-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
CID 89204016
1,3-dioxolan-4-yl 2-methylprop-2-enoate
CID 118057422
tert-butyl 2-methylprop-2-enoate;cyclohexyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 174729608
tert-butyl 2-(2-methylprop-2-enoyloxy)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-7-carboxylate
CID 139915879
(6-ethoxy-1,4,7-trioxonan-2-yl) 2-methylprop-2-enoate
CID 138705758
(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 66694520
[(1R,2S,4R,5R,6S)-5,6-bis(2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate
CID 121423123
tert-butyl [3-ethenyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclohexyl] carbonate
CID 21185029
(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
CID 54028035

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate (CID 59414810) is [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1COCC1OC(=O)OC(C)(C)C.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate?
The InChIKey is LJEUFJNYWBCOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c1-8(2)11(14)17-9-6-16-7-10(9)18-12(15)19-13(3,4)5/h9-10H,1,6-7H2,2-5H3.
What are the key properties of [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate?
[4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate has a molecular weight of 272.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxycarbonyloxy]oxolan-3-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 59414810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).