2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one

C9H14O5 — CID 89018933

IUPAC2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one
SMILESCOCOC1CC2C(=O)OC(C)C2O1
InChIInChI=1S/C9H14O5/c1-5-8-6(9(10)13-5)3-7(14-8)12-4-11-2/h5-8H,3-4H2,1-2H3
InChIKeyCODYTJVHXXKPPY-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.28
Rot. Bonds3

About 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one

2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one (PubChem CID 89018933) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one.

Molecular Properties

Compound Name2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one
PubChem CID89018933
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Name2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one
SMILESCOCOC1CC2C(=O)OC(C)C2O1
InChIInChI=1S/C9H14O5/c1-5-8-6(9(10)13-5)3-7(14-8)12-4-11-2/h5-8H,3-4H2,1-2H3
InChIKeyCODYTJVHXXKPPY-UHFFFAOYSA-N
XLogP0.28
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
The IUPAC name of 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one (CID 89018933) is 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one.
What is the SMILES notation for 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
The canonical SMILES for 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one is COCOC1CC2C(=O)OC(C)C2O1.
What is the InChIKey of 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
The InChIKey is CODYTJVHXXKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-5-8-6(9(10)13-5)3-7(14-8)12-4-11-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one has a molecular weight of 202.21 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)-6-methyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one is sourced from PubChem (CID 89018933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).