(1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane

C11H20O3 — CID 122546546

IUPAC(1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane
SMILESCOC[C@]12CCC[C@](COC)(CC1)O2
InChIInChI=1S/C11H20O3/c1-12-8-10-4-3-5-11(14-10,7-6-10)9-13-2/h3-9H2,1-2H3/t10-,11+
InChIKeyRBQNHYYERKIIPF-PHIMTYICSA-N
MW200.28 g/mol
LogP1.75
Rot. Bonds4

About (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane

(1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane (PubChem CID 122546546) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane
PubChem CID122546546
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane
SMILESCOC[C@]12CCC[C@](COC)(CC1)O2
InChIInChI=1S/C11H20O3/c1-12-8-10-4-3-5-11(14-10,7-6-10)9-13-2/h3-9H2,1-2H3/t10-,11+
InChIKeyRBQNHYYERKIIPF-PHIMTYICSA-N
XLogP1.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane (CID 122546546) is (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane is COC[C@]12CCC[C@](COC)(CC1)O2.
What is the InChIKey of (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane?
The InChIKey is RBQNHYYERKIIPF-PHIMTYICSA-N. The full InChI is InChI=1S/C11H20O3/c1-12-8-10-4-3-5-11(14-10,7-6-10)9-13-2/h3-9H2,1-2H3/t10-,11+.
What are the key properties of (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane?
(1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane has a molecular weight of 200.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 122546546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).