(6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one

C7H8O4 — CID 69405528

IUPAC(6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one
SMILESCC1(C)OC2=COC(=O)[C@@H]2O1
InChIInChI=1S/C7H8O4/c1-7(2)10-4-3-9-6(8)5(4)11-7/h3,5H,1-2H3/t5-/m1/s1
InChIKeyRSZNGCBLIBFEEO-RXMQYKEDSA-N
MW156.14 g/mol
LogP0.54
Rot. Bonds

About (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one

(6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one (PubChem CID 69405528) has the molecular formula C7H8O4 and a molecular weight of 156.14 g/mol. Its IUPAC name is (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one.

Molecular Properties

Compound Name(6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one
PubChem CID69405528
Molecular FormulaC7H8O4
Molecular Weight156.14 g/mol
Exact Mass156.04
IUPAC Name(6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one
SMILESCC1(C)OC2=COC(=O)[C@@H]2O1
InChIInChI=1S/C7H8O4/c1-7(2)10-4-3-9-6(8)5(4)11-7/h3,5H,1-2H3/t5-/m1/s1
InChIKeyRSZNGCBLIBFEEO-RXMQYKEDSA-N
XLogP0.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one?
The IUPAC name of (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one (CID 69405528) is (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one.
What is the SMILES notation for (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one?
The canonical SMILES for (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one is CC1(C)OC2=COC(=O)[C@@H]2O1.
What is the InChIKey of (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one?
The InChIKey is RSZNGCBLIBFEEO-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8O4/c1-7(2)10-4-3-9-6(8)5(4)11-7/h3,5H,1-2H3/t5-/m1/s1.
What are the key properties of (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one?
(6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one has a molecular weight of 156.14 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2,2-dimethyl-6aH-furo[3,4-d][1,3]dioxol-6-one is sourced from PubChem (CID 69405528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).