(1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one

C6H8O3 — CID 12896880

IUPAC(1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one
SMILESO=C1CC[C@@H]2OC[C@H]1O2
InChIInChI=1S/C6H8O3/c7-4-1-2-6-8-3-5(4)9-6/h5-6H,1-3H2/t5-,6-/m1/s1
InChIKeyCRGRZRFQOSNMIH-PHDIDXHHSA-N
MW128.13 g/mol
LogP0.09
Rot. Bonds

About (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one

(1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one (PubChem CID 12896880) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one
PubChem CID12896880
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one
SMILESO=C1CC[C@@H]2OC[C@H]1O2
InChIInChI=1S/C6H8O3/c7-4-1-2-6-8-3-5(4)9-6/h5-6H,1-3H2/t5-,6-/m1/s1
InChIKeyCRGRZRFQOSNMIH-PHDIDXHHSA-N
XLogP0.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one with MolForge

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Related Compounds

(1S,5R)-6,8-dioxabicyclo(3.2.1)octan-4-one
CID 10975499
6,8-Dioxabicyclo(3.2.1)octan-7-one
CID 21328
6,8-Dioxabicyclo[3.2.1]octan-4-one
CID 12896875
Methyl 2,3-anhydro-6-deoxyhexopyranosid-4-ulose
CID 326399
4,4-Dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-one
CID 268834
(1R,2S,6R,8R)-4,4-dimethyl-3,5,10,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-one
CID 10798075
6,8-Dioxabicyclo[3.2.1]octan-2-one
CID 12896877
7,7-Dimethyl-6,8-dioxabicyclo[3.2.1]octan-2-one
CID 10419410
(1R,2S,5R)-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 11332608
(2R,3R,5R)-3-iodo-2-methoxy-6,8-dioxabicyclo[3.2.1]octan-4-one
CID 134857910
4-Fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 21732403
(1S,4S,5R)-4-fluoro-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 131856065

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one (CID 12896880) is (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one is O=C1CC[C@@H]2OC[C@H]1O2.
What is the InChIKey of (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one?
The InChIKey is CRGRZRFQOSNMIH-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H8O3/c7-4-1-2-6-8-3-5(4)9-6/h5-6H,1-3H2/t5-,6-/m1/s1.
What are the key properties of (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one?
(1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one has a molecular weight of 128.13 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-6,8-dioxabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 12896880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).