4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine

C20H37NO3 — CID 14990428

IUPAC4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine
SMILESCC(C)(C)C1CCC2(CC1)OCC(CCCCN1CCOCC1)O2
InChIInChI=1S/C20H37NO3/c1-19(2,3)17-7-9-20(10-8-17)23-16-18(24-20)6-4-5-11-21-12-14-22-15-13-21/h17-18H,4-16H2,1-3H3
InChIKeyZVQAJLBOGVKZQT-UHFFFAOYSA-N
MW339.52 g/mol
LogP3.84
Rot. Bonds5

About 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine

4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine (PubChem CID 14990428) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine.

Molecular Properties

Compound Name4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine
PubChem CID14990428
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine
SMILESCC(C)(C)C1CCC2(CC1)OCC(CCCCN1CCOCC1)O2
InChIInChI=1S/C20H37NO3/c1-19(2,3)17-7-9-20(10-8-17)23-16-18(24-20)6-4-5-11-21-12-14-22-15-13-21/h17-18H,4-16H2,1-3H3
InChIKeyZVQAJLBOGVKZQT-UHFFFAOYSA-N
XLogP3.84
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]-2,6-dimethylmorpholine
CID 14990429
1-[3-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)propyl]-2-ethylpiperidine
CID 14990477
1-[2-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)ethyl]-3-ethylpiperidine
CID 14990401
1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]pyrrolidine
CID 14990393
1-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)-N,N-dimethylmethanamine
CID 142064985
3-methyl-1-[2-[8-(2-methylpentan-2-yl)-1,4-dioxaspiro[4.5]decan-3-yl]ethyl]piperidine
CID 14990389
N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl]-N-ethylpropan-1-amine;sulfane
CID 174604657
2-[[(1,4-dioxaspiro[4.5]decan-3-ylmethylamino)-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110034137
N'-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 7645739
1-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)methyl-ethylamino]-1-hydroxypropan-2-one
CID 169451451
3-(chloromethyl)-1,4,8-trioxaspiro[4.5]decane
CID 82775173
(3R)-3-(chloromethyl)-1,4,8-trioxaspiro[4.5]decane
CID 129382017

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine?
The IUPAC name of 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine (CID 14990428) is 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine.
What is the SMILES notation for 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine?
The canonical SMILES for 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine is CC(C)(C)C1CCC2(CC1)OCC(CCCCN1CCOCC1)O2.
What is the InChIKey of 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine?
The InChIKey is ZVQAJLBOGVKZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO3/c1-19(2,3)17-7-9-20(10-8-17)23-16-18(24-20)6-4-5-11-21-12-14-22-15-13-21/h17-18H,4-16H2,1-3H3.
What are the key properties of 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine?
4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine has a molecular weight of 339.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-tert-butyl-1,4-dioxaspiro[4.5]decan-3-yl)butyl]morpholine is sourced from PubChem (CID 14990428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).