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

C14H18O8 — CID 20643779

IUPAC[3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCC(=O)OC1CCOC1=O
InChIInChI=1S/C14H18O8/c1-9(2)13(17)20-8-4-11(15)19-7-5-12(16)22-10-3-6-21-14(10)18/h10H,1,3-8H2,2H3
InChIKeyMZRDGGQANXOHKH-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.29
Rot. Bonds8

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

[3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate (PubChem CID 20643779) has the molecular formula C14H18O8 and a molecular weight of 314.29 g/mol. Its IUPAC name is [3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate
PubChem CID20643779
Molecular FormulaC14H18O8
Molecular Weight314.29 g/mol
Exact Mass314.10
IUPAC Name[3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC(=O)OCCC(=O)OC1CCOC1=O
InChIInChI=1S/C14H18O8/c1-9(2)13(17)20-8-4-11(15)19-7-5-12(16)22-10-3-6-21-14(10)18/h10H,1,3-8H2,2H3
InChIKeyMZRDGGQANXOHKH-UHFFFAOYSA-N
XLogP0.29
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of [3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate?
The IUPAC name of [3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate (CID 20643779) is [3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCCC(=O)OCCC(=O)OC1CCOC1=O.
What is the InChIKey of [3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate?
The InChIKey is MZRDGGQANXOHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O8/c1-9(2)13(17)20-8-4-11(15)19-7-5-12(16)22-10-3-6-21-14(10)18/h10H,1,3-8H2,2H3.
What are the key properties of [3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate?
[3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate has a molecular weight of 314.29 g/mol, XLogP of 0.29, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-oxo-3-[3-oxo-3-(2-oxooxolan-3-yl)oxypropoxy]propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 20643779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).