2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one

C7H10O3 — CID 13277344

IUPAC2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESCC1CC(=O)C2OCC1O2
InChIInChI=1S/C7H10O3/c1-4-2-5(8)7-9-3-6(4)10-7/h4,6-7H,2-3H2,1H3
InChIKeyRHCKWVDBDCBPID-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.34
Rot. Bonds

About 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one

2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one (PubChem CID 13277344) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one.

Molecular Properties

Compound Name2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one
PubChem CID13277344
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one
SMILESCC1CC(=O)C2OCC1O2
InChIInChI=1S/C7H10O3/c1-4-2-5(8)7-9-3-6(4)10-7/h4,6-7H,2-3H2,1H3
InChIKeyRHCKWVDBDCBPID-UHFFFAOYSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one?
The IUPAC name of 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one (CID 13277344) is 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one.
What is the SMILES notation for 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one?
The canonical SMILES for 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one is CC1CC(=O)C2OCC1O2.
What is the InChIKey of 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one?
The InChIKey is RHCKWVDBDCBPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-2-5(8)7-9-3-6(4)10-7/h4,6-7H,2-3H2,1H3.
What are the key properties of 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one?
2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one has a molecular weight of 142.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,8-dioxabicyclo[3.2.1]octan-4-one is sourced from PubChem (CID 13277344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).