1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene

C18H25NO — CID 15072425

IUPAC1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene
SMILESCc1cc(C)c(C2=NOC3(C2)C(C)(C)C3(C)C)c(C)c1
InChIInChI=1S/C18H25NO/c1-11-8-12(2)15(13(3)9-11)14-10-18(20-19-14)16(4,5)17(18,6)7/h8-9H,10H2,1-7H3
InChIKeySLPVQICKAYCRHS-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.54
Rot. Bonds1

About 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene

1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene (PubChem CID 15072425) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene.

Molecular Properties

Compound Name1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene
PubChem CID15072425
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene
SMILESCc1cc(C)c(C2=NOC3(C2)C(C)(C)C3(C)C)c(C)c1
InChIInChI=1S/C18H25NO/c1-11-8-12(2)15(13(3)9-11)14-10-18(20-19-14)16(4,5)17(18,6)7/h8-9H,10H2,1-7H3
InChIKeySLPVQICKAYCRHS-UHFFFAOYSA-N
XLogP4.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene?
The IUPAC name of 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene (CID 15072425) is 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene.
What is the SMILES notation for 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene?
The canonical SMILES for 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene is Cc1cc(C)c(C2=NOC3(C2)C(C)(C)C3(C)C)c(C)c1.
What is the InChIKey of 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene?
The InChIKey is SLPVQICKAYCRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-11-8-12(2)15(13(3)9-11)14-10-18(20-19-14)16(4,5)17(18,6)7/h8-9H,10H2,1-7H3.
What are the key properties of 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene?
1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene has a molecular weight of 271.40 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene is sourced from PubChem (CID 15072425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).