3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane

C25H39NO5 — CID 58891862

IUPAC3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1cccc(OCC2CO2)c1
InChIInChI=1S/C25H39NO5/c1-18(19-9-8-10-20(11-19)27-12-21-13-28-21)31-26-23(4,5)14-25(15-24(26,6)7)29-16-22(2,3)17-30-25/h8-11,18,21H,12-17H2,1-7H3
InChIKeyXJZMYLBWYVXZKS-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.88
Rot. Bonds6

About 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane

3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 58891862) has the molecular formula C25H39NO5 and a molecular weight of 433.59 g/mol. Its IUPAC name is 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID58891862
Molecular FormulaC25H39NO5
Molecular Weight433.59 g/mol
Exact Mass433.28
IUPAC Name3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1cccc(OCC2CO2)c1
InChIInChI=1S/C25H39NO5/c1-18(19-9-8-10-20(11-19)27-12-21-13-28-21)31-26-23(4,5)14-25(15-24(26,6)7)29-16-22(2,3)17-30-25/h8-11,18,21H,12-17H2,1-7H3
InChIKeyXJZMYLBWYVXZKS-UHFFFAOYSA-N
XLogP4.88
TPSA52.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2,4,4,14,14,16,16-octamethyl-3,15-bis[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,11,18,21-tetraoxa-3,15-diazatrispiro[5.2.2.512.29.26]henicosane
CID 58759284
[3,8,8,10,10-pentamethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate
CID 58759293
2',2',6',6'-tetramethyl-1'-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]
CID 58759296
bis[[3,8,8,10,10-pentamethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl] octanedioate
CID 58759297
3-butyl-3,10,10-triethyl-8,8-dimethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23615035
[7,7,9,9-tetramethyl-8-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl benzoate
CID 58759256
2-[[3-[1,3,3-tris[3-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 59217386
8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 59554000
4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine
CID 139991340
2-[(3-benzhydrylphenoxy)methyl]oxirane
CID 123717672
54,54,56,56-tetramethyl-55-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-55-azaspiro[5.51]heptapentacontane-1,5-diol
CID 87886274
7,7-diethyl-9,9-dimethyl-3-octyl-8-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 23615053

Frequently Asked Questions

What is the IUPAC name of 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane (CID 58891862) is 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane is CC(ON1C(C)(C)CC2(CC1(C)C)OCC(C)(C)CO2)c1cccc(OCC2CO2)c1.
What is the InChIKey of 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is XJZMYLBWYVXZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO5/c1-18(19-9-8-10-20(11-19)27-12-21-13-28-21)31-26-23(4,5)14-25(15-24(26,6)7)29-16-22(2,3)17-30-25/h8-11,18,21H,12-17H2,1-7H3.
What are the key properties of 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane?
3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 433.59 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 58891862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).