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

C13H18O7 — CID 20643780

IUPAC2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(=O)OC1CCOC1=O
InChIInChI=1S/C13H18O7/c1-9(2)12(15)19-8-7-17-5-4-11(14)20-10-3-6-18-13(10)16/h10H,1,3-8H2,2H3
InChIKeyMLPPOQYQHFFWTB-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.37
Rot. Bonds8

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

2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate (PubChem CID 20643780) has the molecular formula C13H18O7 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate
PubChem CID20643780
Molecular FormulaC13H18O7
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOCCC(=O)OC1CCOC1=O
InChIInChI=1S/C13H18O7/c1-9(2)12(15)19-8-7-17-5-4-11(14)20-10-3-6-18-13(10)16/h10H,1,3-8H2,2H3
InChIKeyMLPPOQYQHFFWTB-UHFFFAOYSA-N
XLogP0.37
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate (CID 20643780) is 2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOCCC(=O)OC1CCOC1=O.
What is the InChIKey of 2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate?
The InChIKey is MLPPOQYQHFFWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O7/c1-9(2)12(15)19-8-7-17-5-4-11(14)20-10-3-6-18-13(10)16/h10H,1,3-8H2,2H3.
What are the key properties of 2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate?
2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate has a molecular weight of 286.28 g/mol, XLogP of 0.37, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 20643780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).