1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane

C10H18O — CID 556904

IUPAC1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
SMILESCC1C2CCC1(C)OC2(C)C
InChIInChI=1S/C10H18O/c1-7-8-5-6-10(7,4)11-9(8,2)3/h7-8H,5-6H2,1-4H3
InChIKeyPNNPDYWCSNYYBG-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds

About 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane

1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane (PubChem CID 556904) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
PubChem CID556904
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane
SMILESCC1C2CCC1(C)OC2(C)C
InChIInChI=1S/C10H18O/c1-7-8-5-6-10(7,4)11-9(8,2)3/h7-8H,5-6H2,1-4H3
InChIKeyPNNPDYWCSNYYBG-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,7,7-trimethyl-3,6-dioxatricyclo[3.2.2.02,4]nonane
CID 3936995
(1S,4R,5S,6R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane-5,6-diol
CID 124674049
3-[(1S,3S,4R)-1,3,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-yl]propan-1-ol
CID 130920618
(1R,4R,5R,6R)-1,3,3-trimethyl-6-pyrrolidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol
CID 98541609
(1R,4R,5R,6R)-1,3,3-trimethyl-6-morpholin-4-yl-2-oxabicyclo[2.2.2]octan-5-ol
CID 98541620
5,7,7-trimethyl-6-oxabicyclo[3.2.2]nonan-4-ol
CID 13423312
(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
phenyl-[(1R,2R,4S,5S)-5,7,7-trimethyl-6-oxa-3-azatricyclo[3.2.2.02,4]nonan-3-yl]methanone
CID 98540800
(4R)-4-(2-fluoropropan-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 134946576
(1R,2R,5S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-ol
CID 101222299
(3R,6R)-3-bromo-6-[(1R,3R,4R)-3-bromo-4-chloro-4-methylcyclohexyl]-2,2,6-trimethyloxane
CID 44626954

Frequently Asked Questions

What is the IUPAC name of 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane?
The IUPAC name of 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane (CID 556904) is 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane is CC1C2CCC1(C)OC2(C)C.
What is the InChIKey of 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane?
The InChIKey is PNNPDYWCSNYYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-8-5-6-10(7,4)11-9(8,2)3/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane?
1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane has a molecular weight of 154.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,7-tetramethyl-2-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 556904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).