(3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one

C9H14O2 — CID 102191019

IUPAC(3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one
SMILESC[C@@H]1CC2CC(=O)CC(C2)O1
InChIInChI=1S/C9H14O2/c1-6-2-7-3-8(10)5-9(4-7)11-6/h6-7,9H,2-5H2,1H3/t6-,7?,9?/m1/s1
InChIKeyYKGNHOUXMGLMIS-SXJRXYEXSA-N
MW154.21 g/mol
LogP1.53
Rot. Bonds

About (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one

(3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one (PubChem CID 102191019) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name(3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one
PubChem CID102191019
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one
SMILESC[C@@H]1CC2CC(=O)CC(C2)O1
InChIInChI=1S/C9H14O2/c1-6-2-7-3-8(10)5-9(4-7)11-6/h6-7,9H,2-5H2,1H3/t6-,7?,9?/m1/s1
InChIKeyYKGNHOUXMGLMIS-SXJRXYEXSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxabicyclo[2.1.1]hexan-2-one
CID 171036086
7-propan-2-ylidenebicyclo[3.3.1]nonan-3-one
CID 130038338
7,7-dimethylbicyclo[3.3.1]nonan-3-one
CID 118703373
3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-one
CID 53429583
6-methylbicyclo[3.1.0]hexan-3-one
CID 69065203
1-(2,6-dimethyloxan-4-yl)piperidin-4-one
CID 164664323
(1S,5R)-3,3-dimethyl-3-azoniabicyclo[3.3.1]nonan-7-one iodide
CID 56972855
(1S,5R)-6,8-dioxabicyclo[3.2.1]octan-3-one
CID 10772992
(1S,5R)-7-(hydroxymethyl)bicyclo[3.3.1]nonan-3-one
CID 12561268
6-oxo-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 130002696
(1S,5S,6R)-6-methylbicyclo[3.2.0]heptan-3-one
CID 89088579
3,4-bis(2,6-dimethylmorpholine-4-carbonyl)cyclopentan-1-one
CID 71857149

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one?
The IUPAC name of (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one (CID 102191019) is (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one is C[C@@H]1CC2CC(=O)CC(C2)O1.
What is the InChIKey of (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one?
The InChIKey is YKGNHOUXMGLMIS-SXJRXYEXSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-2-7-3-8(10)5-9(4-7)11-6/h6-7,9H,2-5H2,1H3/t6-,7?,9?/m1/s1.
What are the key properties of (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one?
(3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one has a molecular weight of 154.21 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2-oxabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 102191019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).