6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione

C6H6O5 — CID 123836717

IUPAC6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione
SMILESCC1OC(=O)C2OC(=O)OC12
InChIInChI=1S/C6H6O5/c1-2-3-4(5(7)9-2)11-6(8)10-3/h2-4H,1H3
InChIKeyREDOQEBHZPBWJP-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.16
Rot. Bonds

About 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione

6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione (PubChem CID 123836717) has the molecular formula C6H6O5 and a molecular weight of 158.11 g/mol. Its IUPAC name is 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione.

Molecular Properties

Compound Name6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione
PubChem CID123836717
Molecular FormulaC6H6O5
Molecular Weight158.11 g/mol
Exact Mass158.02
IUPAC Name6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione
SMILESCC1OC(=O)C2OC(=O)OC12
InChIInChI=1S/C6H6O5/c1-2-3-4(5(7)9-2)11-6(8)10-3/h2-4H,1H3
InChIKeyREDOQEBHZPBWJP-UHFFFAOYSA-N
XLogP-0.16
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione?
The IUPAC name of 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione (CID 123836717) is 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione.
What is the SMILES notation for 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione?
The canonical SMILES for 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione is CC1OC(=O)C2OC(=O)OC12.
What is the InChIKey of 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione?
The InChIKey is REDOQEBHZPBWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O5/c1-2-3-4(5(7)9-2)11-6(8)10-3/h2-4H,1H3.
What are the key properties of 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione?
6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione has a molecular weight of 158.11 g/mol, XLogP of -0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-2,4-dione is sourced from PubChem (CID 123836717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).