[2-oxo-2-[(3,3,6-trimethyl-4-oxo-2,3a,6,6a-tetrahydrofuro[3,4-b]furan-2-yl)oxy]ethyl] prop-2-enoate

C14H18O7 — CID 89132886

IUPAC[2-oxo-2-[(3,3,6-trimethyl-4-oxo-2,3a,6,6a-tetrahydrofuro[3,4-b]furan-2-yl)oxy]ethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1OC2C(C)OC(=O)C2C1(C)C
InChIInChI=1S/C14H18O7/c1-5-8(15)18-6-9(16)20-13-14(3,4)10-11(21-13)7(2)19-12(10)17/h5,7,10-11,13H,1,6H2,2-4H3
InChIKeyRLQBIXAYEFPYGL-UHFFFAOYSA-N
MW298.29 g/mol
LogP0.57
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] prop-2-enoate

[2-oxo-2-[(3,3,6-trimethyl-4-oxo-2,3a,6,6a-tetrahydrofuro[3,4-b]furan-2-yl)oxy]ethyl] prop-2-enoate (PubChem CID 89132886) has the molecular formula C14H18O7 and a molecular weight of 298.29 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] prop-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] prop-2-enoate
PubChem CID89132886
Molecular FormulaC14H18O7
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name[2-oxo-2-[(3,3,6-trimethyl-4-oxo-2,3a,6,6a-tetrahydrofuro[3,4-b]furan-2-yl)oxy]ethyl] prop-2-enoate
SMILESC=CC(=O)OCC(=O)OC1OC2C(C)OC(=O)C2C1(C)C
InChIInChI=1S/C14H18O7/c1-5-8(15)18-6-9(16)20-13-14(3,4)10-11(21-13)7(2)19-12(10)17/h5,7,10-11,13H,1,6H2,2-4H3
InChIKeyRLQBIXAYEFPYGL-UHFFFAOYSA-N
XLogP0.57
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.57
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] prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[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
[2-[(3-ethyl-6-methyl-4-oxo-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-2-yl)oxy]-2-oxoethyl] prop-2-enoate
CID 89132889
[2-(3,4-dimethyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460074
[2-(3-methyl-5-oxooxolan-2-yl)oxy-2-oxoethyl] prop-2-enoate
CID 59460095
[2-(4-methyl-2-oxooxan-3-yl)oxy-2-oxoethyl] prop-2-enoate
CID 123601324
[4-(iodomethyl)-5-methyl-2-oxooxolan-3-yl] prop-2-enoate
CID 166810428
formaldehyde;[2-[(5-hydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl)oxy]-2-oxoethyl] prop-2-enoate
CID 123164190
[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;[2-(4-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate;[2-(5-methyl-2-oxooxolan-3-yl)oxy-2-oxoethyl] prop-2-enoate
CID 161191630
tert-butyl 6-methyl-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-4-oxo-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-3-carboxylate
CID 89132880
[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-1-yl)oxy]ethyl] prop-2-enoate
CID 150021563
[2-[(2-methyl-5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl)oxy]-2-oxoethyl] prop-2-enoate
CID 59623140
(5-methyl-2-oxooxolan-3-yl)methyl prop-2-enoate
CID 163217032

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] prop-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] prop-2-enoate (CID 89132886) is [2-oxo-2-[(3,3,6-trimethyl-4-oxo-2,3a,6,6a-tetrahydrofuro[3,4-b]furan-2-yl)oxy]ethyl] prop-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] prop-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] prop-2-enoate is C=CC(=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] prop-2-enoate?
The InChIKey is RLQBIXAYEFPYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O7/c1-5-8(15)18-6-9(16)20-13-14(3,4)10-11(21-13)7(2)19-12(10)17/h5,7,10-11,13H,1,6H2,2-4H3.
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] prop-2-enoate?
[2-oxo-2-[(3,3,6-trimethyl-4-oxo-2,3a,6,6a-tetrahydrofuro[3,4-b]furan-2-yl)oxy]ethyl] prop-2-enoate has a molecular weight of 298.29 g/mol, XLogP of 0.57, 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] prop-2-enoate is sourced from PubChem (CID 89132886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).