9-oxabicyclo[3.3.1]nonan-2-yl acetate

C10H16O3 — CID 539323

IUPAC9-oxabicyclo[3.3.1]nonan-2-yl acetate
SMILESCC(=O)OC1CCC2CCCC1O2
InChIInChI=1S/C10H16O3/c1-7(11)12-10-6-5-8-3-2-4-9(10)13-8/h8-10H,2-6H2,1H3
InChIKeyULRUWGFKTADMEG-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.65
Rot. Bonds1

About 9-oxabicyclo[3.3.1]nonan-2-yl acetate

9-oxabicyclo[3.3.1]nonan-2-yl acetate (PubChem CID 539323) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 9-oxabicyclo[3.3.1]nonan-2-yl acetate.

Molecular Properties

Compound Name9-oxabicyclo[3.3.1]nonan-2-yl acetate
PubChem CID539323
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name9-oxabicyclo[3.3.1]nonan-2-yl acetate
SMILESCC(=O)OC1CCC2CCCC1O2
InChIInChI=1S/C10H16O3/c1-7(11)12-10-6-5-8-3-2-4-9(10)13-8/h8-10H,2-6H2,1H3
InChIKeyULRUWGFKTADMEG-UHFFFAOYSA-N
XLogP1.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
CID 100941844
[(1R,2R,5R)-6-oxo-9-oxabicyclo[3.3.1]nonan-2-yl] acetate
CID 101367426
(6-hydroxy-9-oxabicyclo[3.3.1]nonan-3-yl) acetate
CID 538591
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
(2-methoxycyclobutyl) acetate
CID 68941344
[(1R,2R)-2-chlorocyclobutyl] acetate
CID 54233991
[(2S,6S)-2-amino-6-methyloxan-3-yl] acetate
CID 142045986
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
(5-acetyloxy-6-hydroxyoxan-2-yl)methyl acetate
CID 142113480
[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 66824801
[(1R,2R)-2-propan-2-ylcyclopentyl] acetate
CID 158589886
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473

Frequently Asked Questions

What is the IUPAC name of 9-oxabicyclo[3.3.1]nonan-2-yl acetate?
The IUPAC name of 9-oxabicyclo[3.3.1]nonan-2-yl acetate (CID 539323) is 9-oxabicyclo[3.3.1]nonan-2-yl acetate.
What is the SMILES notation for 9-oxabicyclo[3.3.1]nonan-2-yl acetate?
The canonical SMILES for 9-oxabicyclo[3.3.1]nonan-2-yl acetate is CC(=O)OC1CCC2CCCC1O2.
What is the InChIKey of 9-oxabicyclo[3.3.1]nonan-2-yl acetate?
The InChIKey is ULRUWGFKTADMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(11)12-10-6-5-8-3-2-4-9(10)13-8/h8-10H,2-6H2,1H3.
What are the key properties of 9-oxabicyclo[3.3.1]nonan-2-yl acetate?
9-oxabicyclo[3.3.1]nonan-2-yl acetate has a molecular weight of 184.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxabicyclo[3.3.1]nonan-2-yl acetate is sourced from PubChem (CID 539323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).