9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane

C12H22O3 — CID 167547824

IUPAC9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane
SMILESCOCC12CCCCC(C(C)O1)C2OC
InChIInChI=1S/C12H22O3/c1-9-10-6-4-5-7-12(15-9,8-13-2)11(10)14-3/h9-11H,4-8H2,1-3H3
InChIKeyCADYOEJUCIMCLP-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.00
Rot. Bonds3

About 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane

9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane (PubChem CID 167547824) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane
PubChem CID167547824
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane
SMILESCOCC12CCCCC(C(C)O1)C2OC
InChIInChI=1S/C12H22O3/c1-9-10-6-4-5-7-12(15-9,8-13-2)11(10)14-3/h9-11H,4-8H2,1-3H3
InChIKeyCADYOEJUCIMCLP-UHFFFAOYSA-N
XLogP2.00
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
CID 90128314
CID 153035258
CID 153035258
(1R,3S,4R)-7-dimethylphosphoryloxy-1-(methoxymethyl)-3-methyl-2-oxabicyclo[2.2.1]heptane
CID 162164576
CID 159520022
CID 159520022
(1R,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane
CID 159628837
5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
CID 121443852
CID 58800912
CID 58800912
(1S,6R,9S,12S)-12-methoxy-9-(methoxymethyl)-10,11,13-trioxatricyclo[7.2.2.01,6]tridecane
CID 10106564
(2R,3R,4S,5R)-4-fluoro-5-methyl-3-propan-2-yloxy-2-(propan-2-yloxymethyl)oxane;methane;(1R,3S,4S,7S)-3-methyl-7-propan-2-yloxy-1-(propan-2-yloxymethyl)-2-oxabicyclo[2.2.1]heptane
CID 158516465
CID 169285047
CID 169285047
1-ethyl-9-oxabicyclo[6.1.0]nonane
CID 19373802
[(1S,3S,4R)-7-methoxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 90132874

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane?
The IUPAC name of 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane (CID 167547824) is 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane.
What is the SMILES notation for 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane?
The canonical SMILES for 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane is COCC12CCCCC(C(C)O1)C2OC.
What is the InChIKey of 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane?
The InChIKey is CADYOEJUCIMCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-9-10-6-4-5-7-12(15-9,8-13-2)11(10)14-3/h9-11H,4-8H2,1-3H3.
What are the key properties of 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane?
9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane has a molecular weight of 214.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-(methoxymethyl)-8-methyl-7-oxabicyclo[4.2.1]nonane is sourced from PubChem (CID 167547824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).