(1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane

C11H20O3 — CID 90128314

IUPAC(1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
SMILESCOC[C@@]12CCC[C@@H]([C@H](C)O1)[C@@H]2OC
InChIInChI=1S/C11H20O3/c1-8-9-5-4-6-11(14-8,7-12-2)10(9)13-3/h8-10H,4-7H2,1-3H3/t8-,9-,10-,11+/m0/s1
InChIKeyKLIFXQIJDQXIPB-XWLWVQCSSA-N
MW200.28 g/mol
LogP1.61
Rot. Bonds3

About (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane

(1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane (PubChem CID 90128314) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
PubChem CID90128314
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane
SMILESCOC[C@@]12CCC[C@@H]([C@H](C)O1)[C@@H]2OC
InChIInChI=1S/C11H20O3/c1-8-9-5-4-6-11(14-8,7-12-2)10(9)13-3/h8-10H,4-7H2,1-3H3/t8-,9-,10-,11+/m0/s1
InChIKeyKLIFXQIJDQXIPB-XWLWVQCSSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane (CID 90128314) is (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane is COC[C@@]12CCC[C@@H]([C@H](C)O1)[C@@H]2OC.
What is the InChIKey of (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane?
The InChIKey is KLIFXQIJDQXIPB-XWLWVQCSSA-N. The full InChI is InChI=1S/C11H20O3/c1-8-9-5-4-6-11(14-8,7-12-2)10(9)13-3/h8-10H,4-7H2,1-3H3/t8-,9-,10-,11+/m0/s1.
What are the key properties of (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane?
(1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane has a molecular weight of 200.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,7S,8S)-8-methoxy-5-(methoxymethyl)-7-methyl-6-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 90128314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).