(1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene

C15H22O — CID 91749749

IUPAC(1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene
SMILESCC1=CC[C@@H]2C[C@]3(OC2(C)C)C(C)=CCC13
InChIInChI=1S/C15H22O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h5-6,12-13H,7-9H2,1-4H3/t12-,13?,15+/m1/s1
InChIKeyKVJMJCYPKZHEPD-JHIQODARSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds

About (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene

(1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene (PubChem CID 91749749) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene.

Molecular Properties

Compound Name(1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene
PubChem CID91749749
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene
SMILESCC1=CC[C@@H]2C[C@]3(OC2(C)C)C(C)=CCC13
InChIInChI=1S/C15H22O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h5-6,12-13H,7-9H2,1-4H3/t12-,13?,15+/m1/s1
InChIKeyKVJMJCYPKZHEPD-JHIQODARSA-N
XLogP3.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene 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

Bisabolene oxide
CID 56842615
(1R,3R,7S,9R)-4,11,11-trimethyl-8-methylidene-10-oxatricyclo[7.2.1.03,7]dodec-4-ene
CID 15227484
(1S,5S,9S)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
CID 21579279
(1S,5S,9S)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene
CID 21579280
(2R,5R,9S,10R)-2-ethenyl-2,6,9,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene
CID 10998571
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
(1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
CID 162993842
Clavufuranolide C
CID 171119629
Tetrahydrofuran, 3-isopropyl-2-(3-methylcyclopent-2-enyl)
CID 527239
1,11-Epxoycadina-4,9-diene
CID 91747404
6,11-Epoxyguaia-4,9-diene
CID 91747443
2,2,9-Trimethyl-6-methylene-3,4,5,6,6a,7-hexahydro-2H-3,9a-methanocyclopent[b]oxocine
CID 91749750

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene?
The IUPAC name of (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene (CID 91749749) is (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene.
What is the SMILES notation for (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene?
The canonical SMILES for (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene is CC1=CC[C@@H]2C[C@]3(OC2(C)C)C(C)=CCC13.
What is the InChIKey of (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene?
The InChIKey is KVJMJCYPKZHEPD-JHIQODARSA-N. The full InChI is InChI=1S/C15H22O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h5-6,12-13H,7-9H2,1-4H3/t12-,13?,15+/m1/s1.
What are the key properties of (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene?
(1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene has a molecular weight of 218.34 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodeca-2,6-diene is sourced from PubChem (CID 91749749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).