(1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione

C8H10O3 — CID 59445928

IUPAC(1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione
SMILESC[C@]12CC[C@@H](O1)C(=O)CC2=O
InChIInChI=1S/C8H10O3/c1-8-3-2-6(11-8)5(9)4-7(8)10/h6H,2-4H2,1H3/t6-,8-/m1/s1
InChIKeyDJICEWXPHFJMTC-HTRCEHHLSA-N
MW154.16 g/mol
LogP0.47
Rot. Bonds

About (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione

(1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione (PubChem CID 59445928) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name(1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione
PubChem CID59445928
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione
SMILESC[C@]12CC[C@@H](O1)C(=O)CC2=O
InChIInChI=1S/C8H10O3/c1-8-3-2-6(11-8)5(9)4-7(8)10/h6H,2-4H2,1H3/t6-,8-/m1/s1
InChIKeyDJICEWXPHFJMTC-HTRCEHHLSA-N
XLogP0.47
TPSA43.37 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 ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5R,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one
CID 10655026
(5S,7S,9R)-7,9-dimethyl-6-oxaspiro[4.5]decan-4-one
CID 10773779
(1R,5R,7R)-7-butoxy-5-methyl-8-oxabicyclo[3.2.1]octan-2-one
CID 101436876
9-Oxatricyclo[3.3.1.02,4]-nonan-6-one
CID 129753284
(1R,5S)-5-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134872680
1-[(1S,2R,4S)-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-1-yl]ethanone
CID 134872792
(1R,5S)-1-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134931511
(5R,7S)-7-methyl-6-oxaspiro[4.5]decane-4,9-dione
CID 134951818
(1R,5S)-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-one
CID 138982899
(1R,4R,5R)-5-methyl-4-(3-oxobutyl)-1-propan-2-yl-8-oxabicyclo[3.2.1]octan-2-one
CID 138983391
1,6,6-Trimethyl-8-oxabicyclo[3.2.1]octan-2-one
CID 580361
(1S,5R)-1-(ethoxymethyl)-8-oxabicyclo[3.2.1]octane-2,4-dione
CID 59562672

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione (CID 59445928) is (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione is C[C@]12CC[C@@H](O1)C(=O)CC2=O.
What is the InChIKey of (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is DJICEWXPHFJMTC-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H10O3/c1-8-3-2-6(11-8)5(9)4-7(8)10/h6H,2-4H2,1H3/t6-,8-/m1/s1.
What are the key properties of (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione?
(1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 154.16 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-1-methyl-8-oxabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 59445928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).