2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

C8H12O4 — CID 85373412

IUPAC2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1OC(=O)C2OC(C)(C)OC12
InChIInChI=1S/C8H12O4/c1-4-5-6(7(9)10-4)12-8(2,3)11-5/h4-6H,1-3H3
InChIKeyYUGRZMZGERGITJ-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.45
Rot. Bonds

About 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one

2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (PubChem CID 85373412) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.

Molecular Properties

Compound Name2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
PubChem CID85373412
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one
SMILESCC1OC(=O)C2OC(C)(C)OC12
InChIInChI=1S/C8H12O4/c1-4-5-6(7(9)10-4)12-8(2,3)11-5/h4-6H,1-3H3
InChIKeyYUGRZMZGERGITJ-UHFFFAOYSA-N
XLogP0.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The IUPAC name of 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one (CID 85373412) is 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one.
What is the SMILES notation for 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The canonical SMILES for 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is CC1OC(=O)C2OC(C)(C)OC12.
What is the InChIKey of 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
The InChIKey is YUGRZMZGERGITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-4-5-6(7(9)10-4)12-8(2,3)11-5/h4-6H,1-3H3.
What are the key properties of 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one?
2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one has a molecular weight of 172.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one is sourced from PubChem (CID 85373412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).