5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane

C11H20O3 — CID 121443852

IUPAC5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
SMILESCOCC1C2CCCC1(OC)OC2C
InChIInChI=1S/C11H20O3/c1-8-9-5-4-6-11(13-3,14-8)10(9)7-12-2/h8-10H,4-7H2,1-3H3
InChIKeyVBMKMLPBQPZLJT-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.81
Rot. Bonds3

About 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane

5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane (PubChem CID 121443852) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
PubChem CID121443852
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
SMILESCOCC1C2CCCC1(OC)OC2C
InChIInChI=1S/C11H20O3/c1-8-9-5-4-6-11(13-3,14-8)10(9)7-12-2/h8-10H,4-7H2,1-3H3
InChIKeyVBMKMLPBQPZLJT-UHFFFAOYSA-N
XLogP1.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane?
The IUPAC name of 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane (CID 121443852) is 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane.
What is the SMILES notation for 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane?
The canonical SMILES for 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane is COCC1C2CCCC1(OC)OC2C.
What is the InChIKey of 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane?
The InChIKey is VBMKMLPBQPZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-9-5-4-6-11(13-3,14-8)10(9)7-12-2/h8-10H,4-7H2,1-3H3.
What are the key properties of 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane?
5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane has a molecular weight of 200.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 121443852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).