(1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene

C15H24O — CID 6428330

IUPAC(1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene
SMILESC[C@@H]1CC=C[C@]23CCC(C[C@@]12C)C(C)(C)O3
InChIInChI=1S/C15H24O/c1-11-6-5-8-15-9-7-12(10-14(11,15)4)13(2,3)16-15/h5,8,11-12H,6-7,9-10H2,1-4H3/t11-,12?,14+,15+/m1/s1
InChIKeyJHJVISLPRJLTJT-PYZCBOGGSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds

About (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene

(1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene (PubChem CID 6428330) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene.

Molecular Properties

Compound Name(1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene
PubChem CID6428330
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene
SMILESC[C@@H]1CC=C[C@]23CCC(C[C@@]12C)C(C)(C)O3
InChIInChI=1S/C15H24O/c1-11-6-5-8-15-9-7-12(10-14(11,15)4)13(2,3)16-15/h5,8,11-12H,6-7,9-10H2,1-4H3/t11-,12?,14+,15+/m1/s1
InChIKeyJHJVISLPRJLTJT-PYZCBOGGSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene with MolForge

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Related Compounds

2,6-Dimethyl-10-methylene-12-oxatricyclo[7.3.1.0(1,6)]tridec-2-ene
CID 579073
beta-Agarofuran
CID 6431303
2,6,10-Trimethyl-12-oxatricyclo[7.3.1.0(1,6)]tridec-2-ene
CID 613224
(1S,6S,9S)-2,2,6,9-tetramethyl-12-oxatricyclo[7.2.1.01,6]dodec-10-ene
CID 134993581
(3S,4aS,6aS,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,6a,8,9,10,10b-hexahydro-1H-benzo[f]chromene
CID 15715612
(3S,4aR,6aS,10aS,10bR)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,6a,8,9,10,10b-hexahydro-1H-benzo[f]chromene
CID 15715613
(1S,6S,9R)6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
CID 12073826
1,5-Dimethyl-3-prop-1-enyl-2-oxabicyclo[2.2.2]octane
CID 57224029
5,6-Diethyl-1-methoxybicyclo[2.2.2]oct-2-ene
CID 59942166
(1R,6R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
CID 70153795
(1S,6S)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
CID 70887566
(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-ene
CID 141003799

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene?
The IUPAC name of (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene (CID 6428330) is (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene.
What is the SMILES notation for (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene?
The canonical SMILES for (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene is C[C@@H]1CC=C[C@]23CCC(C[C@@]12C)C(C)(C)O3.
What is the InChIKey of (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene?
The InChIKey is JHJVISLPRJLTJT-PYZCBOGGSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-5-8-15-9-7-12(10-14(11,15)4)13(2,3)16-15/h5,8,11-12H,6-7,9-10H2,1-4H3/t11-,12?,14+,15+/m1/s1.
What are the key properties of (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene?
(1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene has a molecular weight of 220.36 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-5,6,9,9-tetramethyl-10-oxatricyclo[6.2.2.01,6]dodec-2-ene is sourced from PubChem (CID 6428330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).