(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane

C12H20O — CID 162875339

IUPAC(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane
SMILESC[C@]12CC[C@H]3[C@H](CCC[C@@]3(C)O1)C2
InChIInChI=1S/C12H20O/c1-11-7-5-10-9(8-11)4-3-6-12(10,2)13-11/h9-10H,3-8H2,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKeyCTVUDIRPRIHMEZ-WRWGMCAJSA-N
MW180.29 g/mol
LogP3.13
Rot. Bonds

About (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane

(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane (PubChem CID 162875339) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane.

Molecular Properties

Compound Name(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane
PubChem CID162875339
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane
SMILESC[C@]12CC[C@H]3[C@H](CCC[C@@]3(C)O1)C2
InChIInChI=1S/C12H20O/c1-11-7-5-10-9(8-11)4-3-6-12(10,2)13-11/h9-10H,3-8H2,1-2H3/t9-,10+,11-,12-/m1/s1
InChIKeyCTVUDIRPRIHMEZ-WRWGMCAJSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane 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

1,3-dimethyl-6-propan-2-yl-2-oxatricyclo[5.3.1.03,8]undecane
CID 74051960
(1R)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-5-ol
CID 130741525
(1R,2R,5S)-1,5-dimethyl-9-oxabicyclo[3.3.1]nonan-2-ol
CID 14267340
tricyclo[3.3.1.01,4]nonane
CID 90787588
3-(3,3-dimethylcyclohexyl)-2,2-dimethyloxolane
CID 101089665
(1S,3S,4S,7R,8R)-1,3,4,6,6-pentamethyl-2-oxatricyclo[5.3.1.03,8]undecane
CID 91749850
10-(3,3-dimethylcyclohexyl)spiro[4.5]decane
CID 90804483
(2,2-dimethylcyclopropyl)cyclopentane
CID 90922823
(4aS,7S)-7-ethoxy-4,4,7-trimethyl-1,2,3,4a,5,6,8,8a-octahydronaphthalene
CID 176561000
(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
2-[3-(2-hydroxyethyl)-1,3-dimethyl-2-oxabicyclo[2.2.2]octan-5-yl]ethanol
CID 162871161
4,4,8,8-tetramethyl-1,2,3,5,5a,6,7,9,10,10a-decahydroheptalene
CID 123277009

Frequently Asked Questions

What is the IUPAC name of (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane?
The IUPAC name of (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane (CID 162875339) is (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane.
What is the SMILES notation for (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane?
The canonical SMILES for (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane is C[C@]12CC[C@H]3[C@H](CCC[C@@]3(C)O1)C2.
What is the InChIKey of (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane?
The InChIKey is CTVUDIRPRIHMEZ-WRWGMCAJSA-N. The full InChI is InChI=1S/C12H20O/c1-11-7-5-10-9(8-11)4-3-6-12(10,2)13-11/h9-10H,3-8H2,1-2H3/t9-,10+,11-,12-/m1/s1.
What are the key properties of (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane?
(1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane has a molecular weight of 180.29 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,7R,8S)-1,3-dimethyl-2-oxatricyclo[5.3.1.03,8]undecane is sourced from PubChem (CID 162875339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).