[2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate

C14H20O6 — CID 89036882

IUPAC[2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC(CC)C1CC(C)C(=O)O1
InChIInChI=1S/C14H20O6/c1-5-10(11-6-9(4)14(17)20-11)19-12(15)7-18-13(16)8(2)3/h9-11H,2,5-7H2,1,3-4H3
InChIKeyATXNBRTVHAGNEG-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.38
Rot. Bonds6

About [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate

[2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 89036882) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID89036882
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name[2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)OC(CC)C1CC(C)C(=O)O1
InChIInChI=1S/C14H20O6/c1-5-10(11-6-9(4)14(17)20-11)19-12(15)7-18-13(16)8(2)3/h9-11H,2,5-7H2,1,3-4H3
InChIKeyATXNBRTVHAGNEG-UHFFFAOYSA-N
XLogP1.38
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.38
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-(4,6-dimethyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 141250973
[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 68793673
[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
[2-oxo-2-[(3-oxo-2-oxabicyclo[4.3.1]decan-9-yl)oxy]ethyl] 2-methylprop-2-enoate
CID 166570806
[2-[(3-methyl-5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 59623366
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
[2-(methoxymethoxy)-2-oxoethyl] 2-methylprop-2-enoate;methoxymethyl 2-methylprop-2-enoate;(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate;tris(4-oxatricyclo[4.3.1.13,8]undecan-5-one)
CID 159667781
[2-oxo-2-[(3,3,6-trimethyl-4-oxo-2,3a,6,6a-tetrahydrofuro[3,4-b]furan-2-yl)oxy]ethyl] 2-methylprop-2-enoate
CID 89132918
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate
CID 161191630
[2-oxo-2-[(4-oxo-5-oxatetracyclo[4.4.0.02,8.02,10]decan-7-yl)oxy]ethyl] 2-methylprop-2-enoate
CID 134170332

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate (CID 89036882) is [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)OC(CC)C1CC(C)C(=O)O1.
What is the InChIKey of [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is ATXNBRTVHAGNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-5-10(11-6-9(4)14(17)20-11)19-12(15)7-18-13(16)8(2)3/h9-11H,2,5-7H2,1,3-4H3.
What are the key properties of [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate?
[2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 284.31 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-methyl-5-oxooxolan-2-yl)propoxy]-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 89036882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).