4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene

C14H25NO — CID 152920624

IUPAC4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene
SMILESCCN1CC=C(C(C)(C)C)C12CCOCC2
InChIInChI=1S/C14H25NO/c1-5-15-9-6-12(13(2,3)4)14(15)7-10-16-11-8-14/h6H,5,7-11H2,1-4H3
InChIKeyUJADHSXJLWWVMT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds1

About 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene

4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene (PubChem CID 152920624) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene
PubChem CID152920624
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene
SMILESCCN1CC=C(C(C)(C)C)C12CCOCC2
InChIInChI=1S/C14H25NO/c1-5-15-9-6-12(13(2,3)4)14(15)7-10-16-11-8-14/h6H,5,7-11H2,1-4H3
InChIKeyUJADHSXJLWWVMT-UHFFFAOYSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane
CID 154953071
4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene;4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]nonane;(5S)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;(5R)-4-tert-butyl-1-ethyl-7-oxa-1-azaspiro[4.4]non-3-ene;4-tert-butyl-1-methyl-8-oxa-1-azaspiro[4.5]decane;3-tert-butyl-1-methylpyrrolidine;4-tert-butyl-8-oxa-1-azaspiro[4.5]decane;4-tert-butyl-8-oxa-1-azaspiro[4.5]dec-3-ene;3-tert-butylpyrrolidine;(4S)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(4R)-1,4-dimethyl-8-oxa-1-azaspiro[4.5]decane;(3R)-1,3-dimethylpyrrolidine;ethane;(4R)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S)-1-ethyl-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4S,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5S)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4R,5R)-1-ethyl-4-methyl-7-oxa-1-azaspiro[4.4]nonane;(4S)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(4R)-4-methyl-8-oxa-1-azaspiro[4.5]decane;(3R)-3-methylpyrrolidine
CID 159741299
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
3,4-diethyl-3-methylmorpholine
CID 127682047
2-[4-(2-hydroxypropan-2-yl)oxan-4-yl]propan-2-ol
CID 83819521
5-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]
CID 136562978
9-(2-tert-butylpyrimidin-4-yl)-3-oxa-9-azaspiro[5.5]undecane
CID 126806735
1-[4-(4-ethylthiophen-2-yl)oxan-4-yl]piperidine
CID 10779075
1-ethyl-3-[[4-(sulfanylmethyl)oxan-4-yl]methyl]imidazol-2-one
CID 80583000
3-(3,3-dimethylbutyl)-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 86804220
2-tert-butyl-4-N-morpholin-4-yl-6-N-propylpyrimidine-4,6-diamine
CID 83034209
(4-tert-butylphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 116754252

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene?
The IUPAC name of 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene (CID 152920624) is 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene is CCN1CC=C(C(C)(C)C)C12CCOCC2.
What is the InChIKey of 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene?
The InChIKey is UJADHSXJLWWVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-15-9-6-12(13(2,3)4)14(15)7-10-16-11-8-14/h6H,5,7-11H2,1-4H3.
What are the key properties of 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene?
4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene has a molecular weight of 223.36 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 152920624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).