1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

C10H18O — CID 2758

💊View drug profile → cineole
IUPAC1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
SMILESCC12CCC(CC1)C(C)(C)O2
InChIInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
InChIKeyWEEGYLXZBRQIMU-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.74
Rot. Bonds

About 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane (PubChem CID 2758) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane.

Molecular Properties

Compound Name1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
PubChem CID2758
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
SMILESCC12CCC(CC1)C(C)(C)O2
InChIInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
InChIKeyWEEGYLXZBRQIMU-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3S)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-3-yl]methanol
CID 15172597
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
CID 15876938
4-amino-3,5,6-trichloropyridine-2-carboxylic acid;1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 154942782
4,6,6-trideuterio-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
CID 46781028
(1S,4R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol
CID 101389805
(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
CID 130741525
(2,4-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)methanol
CID 130151113
6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-ol
CID 72789838
(1R)-3-methyl-2-oxatricyclo[2.2.1.01,3]heptane
CID 146208377
(1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol
CID 14267340
ethane;1-methyl-7-oxabicyclo[2.2.1]heptane
CID 142533479

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane?
The IUPAC name of 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane (CID 2758) is 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane.
What is the SMILES notation for 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane?
The canonical SMILES for 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane is CC12CCC(CC1)C(C)(C)O2.
What is the InChIKey of 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane?
The InChIKey is WEEGYLXZBRQIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane?
1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane has a molecular weight of 154.25 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane is sourced from PubChem (CID 2758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).