4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

C8H12O4 — CID 11286728

IUPAC4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCCOC1OCC2OC(=O)CC21
InChIInChI=1S/C8H12O4/c1-2-10-8-5-3-7(9)12-6(5)4-11-8/h5-6,8H,2-4H2,1H3
InChIKeyAQLTUTIROBUEMI-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.31
Rot. Bonds2

About 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (PubChem CID 11286728) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.

Molecular Properties

Compound Name4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
PubChem CID11286728
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one
SMILESCCOC1OCC2OC(=O)CC21
InChIInChI=1S/C8H12O4/c1-2-10-8-5-3-7(9)12-6(5)4-11-8/h5-6,8H,2-4H2,1H3
InChIKeyAQLTUTIROBUEMI-UHFFFAOYSA-N
XLogP0.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The IUPAC name of 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one (CID 11286728) is 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one.
What is the SMILES notation for 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The canonical SMILES for 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is CCOC1OCC2OC(=O)CC21.
What is the InChIKey of 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
The InChIKey is AQLTUTIROBUEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-2-10-8-5-3-7(9)12-6(5)4-11-8/h5-6,8H,2-4H2,1H3.
What are the key properties of 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one?
4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one has a molecular weight of 172.18 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one is sourced from PubChem (CID 11286728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).