(5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one

C10H16O2 — CID 162503885

IUPAC(5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one
SMILESC[C@@H]1CC[C@]2(C)CC1OCC2=O
InChIInChI=1S/C10H16O2/c1-7-3-4-10(2)5-8(7)12-6-9(10)11/h7-8H,3-6H2,1-2H3/t7-,8?,10-/m1/s1
InChIKeyUGUCGPBANMSTFN-HUWCLSLFSA-N
MW168.24 g/mol
LogP1.78
Rot. Bonds

About (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one

(5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one (PubChem CID 162503885) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one.

Molecular Properties

Compound Name(5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one
PubChem CID162503885
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one
SMILESC[C@@H]1CC[C@]2(C)CC1OCC2=O
InChIInChI=1S/C10H16O2/c1-7-3-4-10(2)5-8(7)12-6-9(10)11/h7-8H,3-6H2,1-2H3/t7-,8?,10-/m1/s1
InChIKeyUGUCGPBANMSTFN-HUWCLSLFSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one?
The IUPAC name of (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one (CID 162503885) is (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one.
What is the SMILES notation for (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one?
The canonical SMILES for (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one is C[C@@H]1CC[C@]2(C)CC1OCC2=O.
What is the InChIKey of (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one?
The InChIKey is UGUCGPBANMSTFN-HUWCLSLFSA-N. The full InChI is InChI=1S/C10H16O2/c1-7-3-4-10(2)5-8(7)12-6-9(10)11/h7-8H,3-6H2,1-2H3/t7-,8?,10-/m1/s1.
What are the key properties of (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one?
(5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one has a molecular weight of 168.24 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-5,8-dimethyl-2-oxabicyclo[3.3.1]nonan-4-one is sourced from PubChem (CID 162503885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).