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

C12H22O — CID 23264865

IUPAC(1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane
SMILESCC1[C@@H]2CCC[C@H]1[C@H](C(C)(C)C)O2
InChIInChI=1S/C12H22O/c1-8-9-6-5-7-10(8)13-11(9)12(2,3)4/h8-11H,5-7H2,1-4H3/t8?,9-,10+,11-/m1/s1
InChIKeyURHVLLSSWLLYGK-HUAZRZQGSA-N
MW182.31 g/mol
LogP3.24
Rot. Bonds

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

(1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane (PubChem CID 23264865) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane
PubChem CID23264865
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane
SMILESCC1[C@@H]2CCC[C@H]1[C@H](C(C)(C)C)O2
InChIInChI=1S/C12H22O/c1-8-9-6-5-7-10(8)13-11(9)12(2,3)4/h8-11H,5-7H2,1-4H3/t8?,9-,10+,11-/m1/s1
InChIKeyURHVLLSSWLLYGK-HUAZRZQGSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-1,2,3,3a,4a,5,6,7,8,8a,9,9a-dodecahydrocyclopenta[b]chromene
CID 71338835
(2R,6R)-2-tert-butyl-6-methoxyoxane
CID 12740301
(1R,6R)-2-tert-butyl-7-oxabicyclo[4.1.0]heptane
CID 15206214
2-tert-butyl-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59655988
(3R,3aR,6aR)-3-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 89392959
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
(2R)-2-methyl-7-oxabicyclo[4.1.0]heptane
CID 89065827
2-tert-butyl-3,4,5,6-tetramethyloxane
CID 20707638
2-tert-butyl-3-methyloxepane
CID 121477234
ethane;tricyclo[5.3.0.02,6]decane
CID 158606562
(3aS,6aR)-2-tert-butyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3,2]dioxaborole
CID 156682327

Frequently Asked Questions

What is the IUPAC name of (1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane (CID 23264865) is (1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane is CC1[C@@H]2CCC[C@H]1[C@H](C(C)(C)C)O2.
What is the InChIKey of (1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane?
The InChIKey is URHVLLSSWLLYGK-HUAZRZQGSA-N. The full InChI is InChI=1S/C12H22O/c1-8-9-6-5-7-10(8)13-11(9)12(2,3)4/h8-11H,5-7H2,1-4H3/t8?,9-,10+,11-/m1/s1.
What are the key properties of (1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane?
(1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane has a molecular weight of 182.31 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7R)-7-tert-butyl-8-methyl-6-oxabicyclo[3.2.1]octane is sourced from PubChem (CID 23264865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).