2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene

C15H24O — CID 142762292

IUPAC2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
SMILESCC1=CCC2C(C)CCC3CC12OC3(C)C
InChIInChI=1S/C15H24O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h6,10,12-13H,5,7-9H2,1-4H3
InChIKeyLQJFDNXVYWNVKD-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds

About 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene

2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene (PubChem CID 142762292) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene.

Molecular Properties

Compound Name2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
PubChem CID142762292
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
SMILESCC1=CCC2C(C)CCC3CC12OC3(C)C
InChIInChI=1S/C15H24O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h6,10,12-13H,5,7-9H2,1-4H3
InChIKeyLQJFDNXVYWNVKD-UHFFFAOYSA-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'}

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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
(1R,4S,7S,8S,12S)-3,3,7,11-tetramethyl-2-oxatetracyclo[5.4.1.01,8.04,12]dodec-10-ene
CID 21579278
(1R,5R,9R)-2,10,10-trimethyl-6-methylidene-11-oxatricyclo[7.2.1.01,5]dodec-2-ene
CID 162993842
1,11-Epxoycadina-4,9-diene
CID 91747404
6,11-Epoxyguaia-4,9-diene
CID 91747443
7-Epi-bourbon-3-en-5,11-oxide
CID 91749743
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
1,4,6-Trimethyl-2,4,5,6,7,8-hexahydro-3H-3a,6-epoxyazulene
CID 21447563

Frequently Asked Questions

What is the IUPAC name of 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene?
The IUPAC name of 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene (CID 142762292) is 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene.
What is the SMILES notation for 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene?
The canonical SMILES for 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene is CC1=CCC2C(C)CCC3CC12OC3(C)C.
What is the InChIKey of 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene?
The InChIKey is LQJFDNXVYWNVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h6,10,12-13H,5,7-9H2,1-4H3.
What are the key properties of 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene?
2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]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 2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodec-2-ene is sourced from PubChem (CID 142762292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).