2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate

C11H16O6 — CID 153485149

IUPAC2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
SMILESC=C(C)C(=O)OCCOC(=O)C(=O)OCCC
InChIInChI=1S/C11H16O6/c1-4-5-15-10(13)11(14)17-7-6-16-9(12)8(2)3/h2,4-7H2,1,3H3
InChIKeyDNUPCFQYFNPKAC-UHFFFAOYSA-N
MW244.24 g/mol
LogP0.60
Rot. Bonds6

About 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate

2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate (PubChem CID 153485149) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate.

Molecular Properties

Compound Name2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
PubChem CID153485149
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
SMILESC=C(C)C(=O)OCCOC(=O)C(=O)OCCC
InChIInChI=1S/C11H16O6/c1-4-5-15-10(13)11(14)17-7-6-16-9(12)8(2)3/h2,4-7H2,1,3H3
InChIKeyDNUPCFQYFNPKAC-UHFFFAOYSA-N
XLogP0.60
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;propyl 2-methylprop-2-enoate
CID 172812841
propane;propyl 2-methylprop-2-enoate;yttrium
CID 158346337
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
dodecyl 2-methylprop-2-enoate;propyl 2-methylprop-2-enoate
CID 87150170
N-ethyl-N-methylethanamine;propyl 2-methylprop-2-enoate
CID 172705109
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;tris(2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate)
CID 159489372
dimethoxy(methyl)silane;propyl 2-methylprop-2-enoate
CID 159386430
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
CID 87287527
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112

Frequently Asked Questions

What is the IUPAC name of 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate?
The IUPAC name of 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate (CID 153485149) is 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate.
What is the SMILES notation for 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate?
The canonical SMILES for 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate is C=C(C)C(=O)OCCOC(=O)C(=O)OCCC.
What is the InChIKey of 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate?
The InChIKey is DNUPCFQYFNPKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O6/c1-4-5-15-10(13)11(14)17-7-6-16-9(12)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate?
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate has a molecular weight of 244.24 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate is sourced from PubChem (CID 153485149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).