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

C9H16O — CID 10558706

IUPAC(1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane
SMILESC[C@]12CCC[C@](C)(CC1)O2
InChIInChI=1S/C9H16O/c1-8-4-3-5-9(2,10-8)7-6-8/h3-7H2,1-2H3/t8-,9+
InChIKeyCAJSELUCMKYSBM-DTORHVGOSA-N
MW140.23 g/mol
LogP2.50
Rot. Bonds

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

(1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane (PubChem CID 10558706) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane
PubChem CID10558706
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane
SMILESC[C@]12CCC[C@](C)(CC1)O2
InChIInChI=1S/C9H16O/c1-8-4-3-5-9(2,10-8)7-6-8/h3-7H2,1-2H3/t8-,9+
InChIKeyCAJSELUCMKYSBM-DTORHVGOSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane (CID 10558706) is (1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane is C[C@]12CCC[C@](C)(CC1)O2.
What is the InChIKey of (1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane?
The InChIKey is CAJSELUCMKYSBM-DTORHVGOSA-N. The full InChI is InChI=1S/C9H16O/c1-8-4-3-5-9(2,10-8)7-6-8/h3-7H2,1-2H3/t8-,9+.
What are the key properties of (1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane?
(1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane has a molecular weight of 140.23 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1,5-dimethyl-8-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 10558706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).