3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane

C11H18O3 — CID 13031344

IUPAC3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane
SMILESCOC1OC(OC)C2C3CCC(C3)C12
InChIInChI=1S/C11H18O3/c1-12-10-8-6-3-4-7(5-6)9(8)11(13-2)14-10/h6-11H,3-5H2,1-2H3
InChIKeyUZLANSMXFAGNOW-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.62
Rot. Bonds2

About 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane

3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane (PubChem CID 13031344) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane
PubChem CID13031344
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane
SMILESCOC1OC(OC)C2C3CCC(C3)C12
InChIInChI=1S/C11H18O3/c1-12-10-8-6-3-4-7(5-6)9(8)11(13-2)14-10/h6-11H,3-5H2,1-2H3
InChIKeyUZLANSMXFAGNOW-UHFFFAOYSA-N
XLogP1.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-Diethoxy-2-methylpropyl)bicyclo[2.2.1]heptane
CID 103605
2-(3,3-Dimethoxy-2-methylpropyl)bicyclo[2.2.1]heptane
CID 103606
2-(2,2-Dimethoxyethyl)bicyclo[2.2.1]heptane
CID 146049150
(1S,2R,4R,6R,7S)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 54035325
[3-(Diethoxymethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 12800688
(1R,2S,4S,6S,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 12916573
(1R,2R,4R,6R,7R)-4-methoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 12916575
4,7-Methanoisobenzofuran-1-ol, octahydro-
CID 13504705
(1S,2R,6R,7R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 13504706
3-Methyl-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 15594969
(1R,2S,4S,6S,7R)-4-ethoxy-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decane
CID 18596073
(1R,2S,4S,6S,7R)-1,10,10-trimethyl-4-propan-2-yloxy-3-oxatricyclo[5.2.1.02,6]decane
CID 18596074

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane (CID 13031344) is 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane is COC1OC(OC)C2C3CCC(C3)C12.
What is the InChIKey of 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is UZLANSMXFAGNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-12-10-8-6-3-4-7(5-6)9(8)11(13-2)14-10/h6-11H,3-5H2,1-2H3.
What are the key properties of 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane?
3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 198.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 13031344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).