9-methyl-3-oxabicyclo[3.3.1]nonane

C9H16O — CID 90743845

IUPAC9-methyl-3-oxabicyclo[3.3.1]nonane
SMILESCC1C2CCCC1COC2
InChIInChI=1S/C9H16O/c1-7-8-3-2-4-9(7)6-10-5-8/h7-9H,2-6H2,1H3
InChIKeyUTGKYQNLLMVXMA-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.07
Rot. Bonds

About 9-methyl-3-oxabicyclo[3.3.1]nonane

9-methyl-3-oxabicyclo[3.3.1]nonane (PubChem CID 90743845) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 9-methyl-3-oxabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name9-methyl-3-oxabicyclo[3.3.1]nonane
PubChem CID90743845
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name9-methyl-3-oxabicyclo[3.3.1]nonane
SMILESCC1C2CCCC1COC2
InChIInChI=1S/C9H16O/c1-7-8-3-2-4-9(7)6-10-5-8/h7-9H,2-6H2,1H3
InChIKeyUTGKYQNLLMVXMA-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2,3,5,5a,6,7,8,8a-octahydro-1H-cyclopenta[e][1,4]oxazepine
CID 106364256
2,2-dimethyl-1-[(1R,5S)-3-oxabicyclo[3.3.1]nonan-9-yl]propan-1-one
CID 135302142
4-chloro-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 13142614
(3R)-3-[(3S)-oxan-3-yl]oxane
CID 122223544
(3R,5S)-4-methyloxane-3,5-diol
CID 129236591
(3aS,7aR)-5-methyl-1,3,3a,4,5,6,7,7a-octahydro-2-benzofuran
CID 167189775
ethane;6-methyl-3-(oxetan-3-yl)-3-azabicyclo[3.1.1]heptane
CID 171824253
8-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene
CID 89027512
(2R)-1,2-dimethyl-4-(oxetan-3-yl)piperidine
CID 171414290
ethane;3-oxabicyclo[3.1.0]hexane
CID 177000090
(3S,4R)-3,4-dimethyloxolane;ethane;methanol
CID 166485181
tricyclo[11.3.0.05,9]hexadecane
CID 154595560

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-oxabicyclo[3.3.1]nonane?
The IUPAC name of 9-methyl-3-oxabicyclo[3.3.1]nonane (CID 90743845) is 9-methyl-3-oxabicyclo[3.3.1]nonane.
What is the SMILES notation for 9-methyl-3-oxabicyclo[3.3.1]nonane?
The canonical SMILES for 9-methyl-3-oxabicyclo[3.3.1]nonane is CC1C2CCCC1COC2.
What is the InChIKey of 9-methyl-3-oxabicyclo[3.3.1]nonane?
The InChIKey is UTGKYQNLLMVXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-8-3-2-4-9(7)6-10-5-8/h7-9H,2-6H2,1H3.
What are the key properties of 9-methyl-3-oxabicyclo[3.3.1]nonane?
9-methyl-3-oxabicyclo[3.3.1]nonane has a molecular weight of 140.23 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-oxabicyclo[3.3.1]nonane is sourced from PubChem (CID 90743845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).