6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one

C9H12O3 — CID 130037247

IUPAC6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one
SMILESCC12CC(=O)C3OC(C1)C3(C)O2
InChIInChI=1S/C9H12O3/c1-8-3-5(10)7-9(2,12-8)6(4-8)11-7/h6-7H,3-4H2,1-2H3
InChIKeyFUVDZPRREMFVOR-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.66
Rot. Bonds

About 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one

6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one (PubChem CID 130037247) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one.

Molecular Properties

Compound Name6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one
PubChem CID130037247
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one
SMILESCC12CC(=O)C3OC(C1)C3(C)O2
InChIInChI=1S/C9H12O3/c1-8-3-5(10)7-9(2,12-8)6(4-8)11-7/h6-7H,3-4H2,1-2H3
InChIKeyFUVDZPRREMFVOR-UHFFFAOYSA-N
XLogP0.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one with MolForge

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Related Compounds

(1R,5R,7R)-7-butoxy-5-methyl-8-oxabicyclo[3.2.1]octan-2-one
CID 101436876
(1S,3S,4S,6S,8R)-4-methoxy-6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-9-one
CID 10631809
(1S,5R)-1-(ethoxymethyl)-8-oxabicyclo[3.2.1]octane-2,4-dione
CID 59562672
1-(Ethoxymethyl)-8-oxabicyclo[3.2.1]octane-2,4-dione
CID 68730658
(1S*,5S*)-1-ethoxymethyl-8-oxabicyclo[3.2.1]octane-2,4-dione
CID 68730659
(6R,8S)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one
CID 130361253
(1R,3R,6S,8R,9S,10R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one
CID 135196152
(6S,8R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one
CID 139469619
(3R,6S,8R,9S,10R)-9,10-dimethyl-2,7-dioxatricyclo[4.3.1.03,8]decan-5-one
CID 153453278
1-[(1R,4S,5S,7S,8S)-4,8-dimethyl-2,6-dioxabicyclo[3.2.1]octan-7-yl]ethanone
CID 163950509
(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
CID 164983071
(1S,2R,5S)-2-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
CID 10630979

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one?
The IUPAC name of 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one (CID 130037247) is 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one.
What is the SMILES notation for 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one?
The canonical SMILES for 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one is CC12CC(=O)C3OC(C1)C3(C)O2.
What is the InChIKey of 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one?
The InChIKey is FUVDZPRREMFVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-8-3-5(10)7-9(2,12-8)6(4-8)11-7/h6-7H,3-4H2,1-2H3.
What are the key properties of 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one?
6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one has a molecular weight of 168.19 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2,7-dioxatricyclo[4.2.1.03,8]nonan-4-one is sourced from PubChem (CID 130037247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).