5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one

C7H10O3 — CID 18958031

IUPAC5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
SMILESCC12CC(=O)CC(CO1)O2
InChIInChI=1S/C7H10O3/c1-7-3-5(8)2-6(10-7)4-9-7/h6H,2-4H2,1H3
InChIKeyIGOICPWGOURETL-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.48
Rot. Bonds

About 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one

5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one (PubChem CID 18958031) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
PubChem CID18958031
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one
SMILESCC12CC(=O)CC(CO1)O2
InChIInChI=1S/C7H10O3/c1-7-3-5(8)2-6(10-7)4-9-7/h6H,2-4H2,1H3
InChIKeyIGOICPWGOURETL-UHFFFAOYSA-N
XLogP0.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one?
The IUPAC name of 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one (CID 18958031) is 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one is CC12CC(=O)CC(CO1)O2.
What is the InChIKey of 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one?
The InChIKey is IGOICPWGOURETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-7-3-5(8)2-6(10-7)4-9-7/h6H,2-4H2,1H3.
What are the key properties of 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one?
5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one has a molecular weight of 142.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,8-dioxabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 18958031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).