(1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene

C15H22O — CID 162993842

IUPAC(1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
SMILESC=C1CC[C@@H]2C[C@]3(OC2(C)C)C(C)=CC[C@H]13
InChIInChI=1S/C15H22O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h6,12-13H,1,5,7-9H2,2-4H3/t12-,13-,15+/m1/s1
InChIKeyMGSOIRWVRUQEDG-NFAWXSAZSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds

About (1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene

(1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene (PubChem CID 162993842) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene.

Molecular Properties

Compound Name(1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
PubChem CID162993842
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
SMILESC=C1CC[C@@H]2C[C@]3(OC2(C)C)C(C)=CC[C@H]13
InChIInChI=1S/C15H22O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h6,12-13H,1,5,7-9H2,2-4H3/t12-,13-,15+/m1/s1
InChIKeyMGSOIRWVRUQEDG-NFAWXSAZSA-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,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene with MolForge

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Related Compounds

(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
1,11-Epxoycadina-4,9-diene
CID 91747404
6,11-Epoxyguaia-4,9-diene
CID 91747443
2,2,6,9-Tetramethyl-3,4,6a,7-tetrahydro-2H-3,9a-methanocyclopent[b]oxocine
CID 91749749
2,2,9-Trimethyl-6-methylene-3,4,5,6,6a,7-hexahydro-2H-3,9a-methanocyclopent[b]oxocine
CID 91749750
4,6,10,10-Tetramethyl-5-oxatricyclo[4.4.1.01,4]undec-2-ene
CID 21578398
1,4,6-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,6-epoxyazulene
CID 21447563
2-Ethenyl-2,6,9,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene
CID 23425314
2,6,10,10-Tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
CID 142762292

Frequently Asked Questions

What is the IUPAC name of (1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene?
The IUPAC name of (1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene (CID 162993842) is (1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene.
What is the SMILES notation for (1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene?
The canonical SMILES for (1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene is C=C1CC[C@@H]2C[C@]3(OC2(C)C)C(C)=CC[C@H]13.
What is the InChIKey of (1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene?
The InChIKey is MGSOIRWVRUQEDG-NFAWXSAZSA-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/h6,12-13H,1,5,7-9H2,2-4H3/t12-,13-,15+/m1/s1.
What are the key properties of (1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene?
(1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene 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,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene is sourced from PubChem (CID 162993842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).