2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one

C8H10O3 — CID 134919691

IUPAC2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
SMILESCC1OC(=O)C2=C(CCC2)O1
InChIInChI=1S/C8H10O3/c1-5-10-7-4-2-3-6(7)8(9)11-5/h5H,2-4H2,1H3
InChIKeyIJGGPAPILHMJNQ-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.34
Rot. Bonds

About 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one

2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one (PubChem CID 134919691) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
PubChem CID134919691
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
SMILESCC1OC(=O)C2=C(CCC2)O1
InChIInChI=1S/C8H10O3/c1-5-10-7-4-2-3-6(7)8(9)11-5/h5H,2-4H2,1H3
InChIKeyIJGGPAPILHMJNQ-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
The IUPAC name of 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one (CID 134919691) is 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one is CC1OC(=O)C2=C(CCC2)O1.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
The InChIKey is IJGGPAPILHMJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-10-7-4-2-3-6(7)8(9)11-5/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one?
2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one has a molecular weight of 154.16 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one is sourced from PubChem (CID 134919691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).