2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene

C13H23NO2 — CID 14389101

IUPAC2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
SMILESCC1(C)CC2(CC(C)(C)N1)OCC=CCO2
InChIInChI=1S/C13H23NO2/c1-11(2)9-13(10-12(3,4)14-11)15-7-5-6-8-16-13/h5-6,14H,7-10H2,1-4H3
InChIKeyUFWWFKWRCMMFLB-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.23
Rot. Bonds

About 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene

2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene (PubChem CID 14389101) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
PubChem CID14389101
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
SMILESCC1(C)CC2(CC(C)(C)N1)OCC=CCO2
InChIInChI=1S/C13H23NO2/c1-11(2)9-13(10-12(3,4)14-11)15-7-5-6-8-16-13/h5-6,14H,7-10H2,1-4H3
InChIKeyUFWWFKWRCMMFLB-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The IUPAC name of 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene (CID 14389101) is 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene.
What is the SMILES notation for 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The canonical SMILES for 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is CC1(C)CC2(CC(C)(C)N1)OCC=CCO2.
What is the InChIKey of 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The InChIKey is UFWWFKWRCMMFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)9-13(10-12(3,4)14-11)15-7-5-6-8-16-13/h5-6,14H,7-10H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene has a molecular weight of 225.33 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is sourced from PubChem (CID 14389101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).