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

C45H66N2O10 — CID 58759284

IUPAC2,2,4,4,14,14,16,16-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
SMILESCC(ON1C(C)(C)CC2(CC1(C)C)OCC1(CO2)COC2(CC(C)(C)N(OC(C)c3ccc(OCC4CO4)cc3)C(C)(C)C2)OC1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C45H66N2O10/c1-31(33-11-15-35(16-12-33)48-19-37-21-50-37)56-46-39(3,4)23-44(24-40(46,5)6)52-27-43(28-53-44)29-54-45(55-30-43)25-41(7,8)47(42(9,10)26-45)57-32(2)34-13-17-36(18-14-34)49-20-38-22-51-38/h11-18,31-32,37-38H,19-30H2,1-10H3
InChIKeyICHUWLJRKPGFDN-UHFFFAOYSA-N
MW795.03 g/mol
LogP7.71
Rot. Bonds12

About 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

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 (PubChem CID 58759284) has the molecular formula C45H66N2O10 and a molecular weight of 795.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,2,4,4,14,14,16,16-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
PubChem CID58759284
Molecular FormulaC45H66N2O10
Molecular Weight795.03 g/mol
Exact Mass794.47
IUPAC Name2,2,4,4,14,14,16,16-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
SMILESCC(ON1C(C)(C)CC2(CC1(C)C)OCC1(CO2)COC2(CC(C)(C)N(OC(C)c3ccc(OCC4CO4)cc3)C(C)(C)C2)OC1)c1ccc(OCC2CO2)cc1
InChIInChI=1S/C45H66N2O10/c1-31(33-11-15-35(16-12-33)48-19-37-21-50-37)56-46-39(3,4)23-44(24-40(46,5)6)52-27-43(28-53-44)29-54-45(55-30-43)25-41(7,8)47(42(9,10)26-45)57-32(2)34-13-17-36(18-14-34)49-20-38-22-51-38/h11-18,31-32,37-38H,19-30H2,1-10H3
InChIKeyICHUWLJRKPGFDN-UHFFFAOYSA-N
XLogP7.71
TPSA105.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500795.03
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
3,3,8,8,10,10-hexamethyl-9-[1-[3-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 58891862
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
4,4-bis(cyclohexylperoxy)-2,2,6,6-tetramethyl-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine
CID 139991340
[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
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
3,8,10-triethyl-3,8,10,11-tetramethyl-9-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 23615030
2,2-diethyl-6,6-dimethyl-4,4-dioctoxy-1-[1-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]piperidine
CID 23615011
2-[[4-(1-methoxyethyl)phenoxy]methyl]oxirane
CID 22359743

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(ON1C(C)(C)CC2(CC1(C)C)OCC1(CO2)COC2(CC(C)(C)N(OC(C)c3ccc(OCC4CO4)cc3)C(C)(C)C2)OC1)c1ccc(OCC2CO2)cc1.
What is the InChIKey of 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?
The InChIKey is ICHUWLJRKPGFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H66N2O10/c1-31(33-11-15-35(16-12-33)48-19-37-21-50-37)56-46-39(3,4)23-44(24-40(46,5)6)52-27-43(28-53-44)29-54-45(55-30-43)25-41(7,8)47(42(9,10)26-45)57-32(2)34-13-17-36(18-14-34)49-20-38-22-51-38/h11-18,31-32,37-38H,19-30H2,1-10H3.
What are the key properties of 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?
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 has a molecular weight of 795.03 g/mol, XLogP of 7.71, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58759284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).