3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one

C8H10O3 — CID 167461265

IUPAC3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one
SMILESCC12C=CC(=O)C1(C)OCO2
InChIInChI=1S/C8H10O3/c1-7-4-3-6(9)8(7,2)11-5-10-7/h3-4H,5H2,1-2H3
InChIKeyBXXWBFDBABBUGI-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.65
Rot. Bonds

About 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one

3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one (PubChem CID 167461265) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one.

Molecular Properties

Compound Name3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one
PubChem CID167461265
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one
SMILESCC12C=CC(=O)C1(C)OCO2
InChIInChI=1S/C8H10O3/c1-7-4-3-6(9)8(7,2)11-5-10-7/h3-4H,5H2,1-2H3
InChIKeyBXXWBFDBABBUGI-UHFFFAOYSA-N
XLogP0.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one?
The IUPAC name of 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one (CID 167461265) is 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one.
What is the SMILES notation for 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one?
The canonical SMILES for 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one is CC12C=CC(=O)C1(C)OCO2.
What is the InChIKey of 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one?
The InChIKey is BXXWBFDBABBUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-7-4-3-6(9)8(7,2)11-5-10-7/h3-4H,5H2,1-2H3.
What are the key properties of 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one?
3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one has a molecular weight of 154.16 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-dimethylcyclopenta[d][1,3]dioxol-4-one is sourced from PubChem (CID 167461265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).