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

C8H12O3 — CID 88999660

IUPAC2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one
SMILESCC1CC2C(=O)OC(C)C2O1
InChIInChI=1S/C8H12O3/c1-4-3-6-7(10-4)5(2)11-8(6)9/h4-7H,3H2,1-2H3
InChIKeyYGKWANHDTILLKU-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds

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

2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one (PubChem CID 88999660) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one.

Molecular Properties

Compound Name2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one
PubChem CID88999660
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one
SMILESCC1CC2C(=O)OC(C)C2O1
InChIInChI=1S/C8H12O3/c1-4-3-6-7(10-4)5(2)11-8(6)9/h4-7H,3H2,1-2H3
InChIKeyYGKWANHDTILLKU-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
The IUPAC name of 2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one (CID 88999660) is 2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one.
What is the SMILES notation for 2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
The canonical SMILES for 2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one is CC1CC2C(=O)OC(C)C2O1.
What is the InChIKey of 2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
The InChIKey is YGKWANHDTILLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-4-3-6-7(10-4)5(2)11-8(6)9/h4-7H,3H2,1-2H3.
What are the key properties of 2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one?
2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one has a molecular weight of 156.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3,3a,6,6a-tetrahydro-2H-furo[2,3-c]furan-4-one is sourced from PubChem (CID 88999660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).