(1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one

C7H10O3 — CID 101246909

IUPAC(1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one
SMILESC[C@]12OCC[C@H](CC1=O)O2
InChIInChI=1S/C7H10O3/c1-7-6(8)4-5(10-7)2-3-9-7/h5H,2-4H2,1H3/t5-,7-/m1/s1
InChIKeyYFLMYZJNUZCHHO-IYSWYEEDSA-N
MW142.15 g/mol
LogP0.48
Rot. Bonds

About (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one

(1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one (PubChem CID 101246909) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one
PubChem CID101246909
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one
SMILESC[C@]12OCC[C@H](CC1=O)O2
InChIInChI=1S/C7H10O3/c1-7-6(8)4-5(10-7)2-3-9-7/h5H,2-4H2,1H3/t5-,7-/m1/s1
InChIKeyYFLMYZJNUZCHHO-IYSWYEEDSA-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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Related Compounds

(1S,4R)-1-methyl-7-oxabicyclo[2.2.1]heptan-2-one
CID 11423597
(1R,5S)-5-methyl-8-oxabicyclo[3.2.1]octan-6-one
CID 134872680
2,2-dimethyloxolan-3-one
CID 13010294
(1R,5R,7S)-9,9-dimethyl-2,10-dioxatricyclo[5.2.1.01,5]decan-8-one
CID 10442331
5-hydroxy-2,2-dimethyloxolan-3-one
CID 53438929
4,5,5,6,6-pentamethyloxan-2-one
CID 134335471
(1R,2R,4S,7R,10S)-3,8,13,14-tetraoxatetracyclo[8.3.1.01,7.02,4]tetradecan-5-one
CID 135023986
7-methyl-1,4-dioxaspiro[2.4]heptan-5-one
CID 535523
(1R,2R,5R)-6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,3'-dioxolane]-3-one
CID 102246365
(1R,9S)-5,5-dimethyl-4,6-dioxa-10-azabicyclo[7.2.0]undecan-11-one
CID 102031109
2,2,3,3,4-pentamethyloxane
CID 140691979
(4S)-2,2,4-trimethyl-1,3-dioxane
CID 12587732

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one (CID 101246909) is (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one is C[C@]12OCC[C@H](CC1=O)O2.
What is the InChIKey of (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one?
The InChIKey is YFLMYZJNUZCHHO-IYSWYEEDSA-N. The full InChI is InChI=1S/C7H10O3/c1-7-6(8)4-5(10-7)2-3-9-7/h5H,2-4H2,1H3/t5-,7-/m1/s1.
What are the key properties of (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one?
(1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-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 (1R,5R)-1-methyl-2,8-dioxabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 101246909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).