[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate

C11H14O6 — CID 20643847

IUPAC[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OC1CCOC1=O
InChIInChI=1S/C11H14O6/c1-7(2)10(13)15-6-4-9(12)17-8-3-5-16-11(8)14/h8H,1,3-6H2,2H3
InChIKeyLBMMFQYAMJZRRZ-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.35
Rot. Bonds5

About [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate

[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate (PubChem CID 20643847) has the molecular formula C11H14O6 and a molecular weight of 242.23 g/mol. Its IUPAC name is [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
PubChem CID20643847
Molecular FormulaC11H14O6
Molecular Weight242.23 g/mol
Exact Mass242.08
IUPAC Name[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OC1CCOC1=O
InChIInChI=1S/C11H14O6/c1-7(2)10(13)15-6-4-9(12)17-8-3-5-16-11(8)14/h8H,1,3-6H2,2H3
InChIKeyLBMMFQYAMJZRRZ-UHFFFAOYSA-N
XLogP0.35
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.35
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-[2-oxo-2-(2-oxooxolan-3-yl)oxyethoxy]ethyl 2-methylprop-2-enoate
CID 20643849
2-[[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 20643781
2-[(2-oxooxolan-3-yl)oxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 118535175
ethane;(2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 143365262
3-prop-1-en-2-yloxyoxolan-2-one
CID 145146780
(2-oxooxolan-3-yl) 3-(4-aminophenoxy)propanoate
CID 61315040
(2-oxooxolan-3-yl) 3-(2-methylprop-2-enoyloxy)cyclobutane-1-carboxylate
CID 70669312
1-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 4-O-(2-oxooxolan-3-yl) butanedioate
CID 20776580
hydrazine;(2-oxooxolan-3-yl) 3-[bis(2-ethoxyethyl)amino]propanoate
CID 162054409
[2-(5-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 68793673
4-O-(4,4-dimethyl-2-oxooxolan-3-yl) 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] butanedioate
CID 59616357
4-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-7-oxo-6-oxabicyclo[3.2.1]octane-2-carboxylate
CID 176837731

Frequently Asked Questions

What is the IUPAC name of [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate (CID 20643847) is [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)OC1CCOC1=O.
What is the InChIKey of [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate?
The InChIKey is LBMMFQYAMJZRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O6/c1-7(2)10(13)15-6-4-9(12)17-8-3-5-16-11(8)14/h8H,1,3-6H2,2H3.
What are the key properties of [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate?
[3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate has a molecular weight of 242.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-(2-oxooxolan-3-yl)oxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20643847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).