methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate

C12H18O6 — CID 126746150

IUPACmethyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate
SMILESCCOC1C(C)OC2C(CC(=O)OC)C(=O)OC12
InChIInChI=1S/C12H18O6/c1-4-16-9-6(2)17-10-7(5-8(13)15-3)12(14)18-11(9)10/h6-7,9-11H,4-5H2,1-3H3
InChIKeyWAAASGZRJGGKLB-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.28
Rot. Bonds4

About methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate

methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate (PubChem CID 126746150) has the molecular formula C12H18O6 and a molecular weight of 258.27 g/mol. Its IUPAC name is methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate
PubChem CID126746150
Molecular FormulaC12H18O6
Molecular Weight258.27 g/mol
Exact Mass258.11
IUPAC Namemethyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate
SMILESCCOC1C(C)OC2C(CC(=O)OC)C(=O)OC12
InChIInChI=1S/C12H18O6/c1-4-16-9-6(2)17-10-7(5-8(13)15-3)12(14)18-11(9)10/h6-7,9-11H,4-5H2,1-3H3
InChIKeyWAAASGZRJGGKLB-UHFFFAOYSA-N
XLogP0.28
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate?
The IUPAC name of methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate (CID 126746150) is methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate.
What is the SMILES notation for methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate?
The canonical SMILES for methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate is CCOC1C(C)OC2C(CC(=O)OC)C(=O)OC12.
What is the InChIKey of methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate?
The InChIKey is WAAASGZRJGGKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O6/c1-4-16-9-6(2)17-10-7(5-8(13)15-3)12(14)18-11(9)10/h6-7,9-11H,4-5H2,1-3H3.
What are the key properties of methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate?
methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate has a molecular weight of 258.27 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-ethoxy-2-methyl-5-oxo-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-6-yl)acetate is sourced from PubChem (CID 126746150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).