2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene

C18H25NO — CID 176909656

IUPAC2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCCC1CCC2(N=C(c3ccc(C)cc3)CC2(C)C)O1
InChIInChI=1S/C18H25NO/c1-5-15-10-11-18(20-15)17(3,4)12-16(19-18)14-8-6-13(2)7-9-14/h6-9,15H,5,10-12H2,1-4H3
InChIKeySCCUBUOVOPHHIH-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.50
Rot. Bonds2

About 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene

2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (PubChem CID 176909656) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.

Molecular Properties

Compound Name2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
PubChem CID176909656
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
SMILESCCC1CCC2(N=C(c3ccc(C)cc3)CC2(C)C)O1
InChIInChI=1S/C18H25NO/c1-5-15-10-11-18(20-15)17(3,4)12-16(19-18)14-8-6-13(2)7-9-14/h6-9,15H,5,10-12H2,1-4H3
InChIKeySCCUBUOVOPHHIH-UHFFFAOYSA-N
XLogP4.50
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909629
7-(4-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909633
7-(3-Fluorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909635
9,9-Dimethyl-7-[4-(trifluoromethyl)phenyl]-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909642
5-(4,4-Dimethylpentyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 58318352
1-[4-[(3,4-dimethylcyclopenta-2,4-dien-1-yl)methyl]-5-methoxycyclohepten-1-yl]-N-[2-[4-(4-ethenyl-4-methylheptyl)phenyl]cyclohexen-1-yl]propan-1-imine
CID 91318087
(6Z)-3-(4-tert-butylphenyl)-5-methylidene-6-prop-2-enylidene-11-oxa-4-azatricyclo[6.2.1.02,7]undeca-2(7),3-diene
CID 144768171
2-Ethyl-9,9-dimethyl-7-phenyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909624
2,9,9-Trimethyl-7-(4-phenylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909626
7-(4-Bromophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909627
7-(4-Chlorophenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909628
7-(4-Ethylphenyl)-9,9-dimethyl-1-oxa-6-azaspiro[4.4]non-6-ene
CID 176909631

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The IUPAC name of 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene (CID 176909656) is 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene.
What is the SMILES notation for 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The canonical SMILES for 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is CCC1CCC2(N=C(c3ccc(C)cc3)CC2(C)C)O1.
What is the InChIKey of 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
The InChIKey is SCCUBUOVOPHHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-5-15-10-11-18(20-15)17(3,4)12-16(19-18)14-8-6-13(2)7-9-14/h6-9,15H,5,10-12H2,1-4H3.
What are the key properties of 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene?
2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene has a molecular weight of 271.40 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9,9-dimethyl-7-(4-methylphenyl)-1-oxa-6-azaspiro[4.4]non-6-ene is sourced from PubChem (CID 176909656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).