[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

C15H20O7 — CID 89132918

IUPAC[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
SMILESC=C(C)C(=O)OCC(=O)OC1OC2C(C)OC(=O)C2C1(C)C
InChIInChI=1S/C15H20O7/c1-7(2)12(17)19-6-9(16)21-14-15(4,5)10-11(22-14)8(3)20-13(10)18/h8,10-11,14H,1,6H2,2-5H3
InChIKeyABMAELUWPPZNCO-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.96
Rot. Bonds4

About [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

[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 (PubChem CID 89132918) has the molecular formula C15H20O7 and a molecular weight of 312.32 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID89132918
Molecular FormulaC15H20O7
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Name[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
SMILESC=C(C)C(=O)OCC(=O)OC1OC2C(C)OC(=O)C2C1(C)C
InChIInChI=1S/C15H20O7/c1-7(2)12(17)19-6-9(16)21-14-15(4,5)10-11(22-14)8(3)20-13(10)18/h8,10-11,14H,1,6H2,2-5H3
InChIKeyABMAELUWPPZNCO-UHFFFAOYSA-N
XLogP0.96
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C=C(C)C(=O)OCC(=O)OC1OC2C(C)OC(=O)C2C1(C)C.
What is the InChIKey of [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?
The InChIKey is ABMAELUWPPZNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O7/c1-7(2)12(17)19-6-9(16)21-14-15(4,5)10-11(22-14)8(3)20-13(10)18/h8,10-11,14H,1,6H2,2-5H3.
What are the key properties of [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?
[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 has a molecular weight of 312.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 89132918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).