2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene

C24H35NO5 — CID 90976405

IUPAC2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
SMILESCC1(C)CC2(CC(C)(C)N1OCCc1ccc(OCC3CO3)cc1)OCC=CCO2
InChIInChI=1S/C24H35NO5/c1-22(2)17-24(28-12-5-6-13-29-24)18-23(3,4)25(22)30-14-11-19-7-9-20(10-8-19)26-15-21-16-27-21/h5-10,21H,11-18H2,1-4H3
InChIKeyDCGOIBXAJPAKHO-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.89
Rot. Bonds7

About 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene

2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene (PubChem CID 90976405) has the molecular formula C24H35NO5 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
PubChem CID90976405
Molecular FormulaC24H35NO5
Molecular Weight417.55 g/mol
Exact Mass417.25
IUPAC Name2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene
SMILESCC1(C)CC2(CC(C)(C)N1OCCc1ccc(OCC3CO3)cc1)OCC=CCO2
InChIInChI=1S/C24H35NO5/c1-22(2)17-24(28-12-5-6-13-29-24)18-23(3,4)25(22)30-14-11-19-7-9-20(10-8-19)26-15-21-16-27-21/h5-10,21H,11-18H2,1-4H3
InChIKeyDCGOIBXAJPAKHO-UHFFFAOYSA-N
XLogP3.89
TPSA52.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 90711548
[3-ethyl-8,8,10,10-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methanol
CID 91404054
3,10,10-triethyl-3,8,8-trimethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 91349409
3,3,10,10-tetraethyl-8,8-dimethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 91293268
3-butyl-7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 91352147
3-decyl-7,7,9,9-tetramethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 91028912
methyl 10,10-diethyl-3,8,8-trimethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane-3-carboxylate
CID 91487279
13,13-diethyl-11,11-dimethyl-12-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-8,15-dioxa-12-azadispiro[5.2.59.26]hexadec-3-ene
CID 90842525
7,7-diethyl-9,9-dimethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-3-(phenylmethoxymethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 90774243
3,8,10-triethyl-3,8,10,11-tetramethyl-9-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90861734
2,2,6,6-tetramethyl-1-[2-[4-(oxan-2-ylmethoxy)phenyl]ethoxy]piperidine
CID 155319576
3,7,9-triethyl-6,7,9-trimethyl-8-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-1,4-dioxa-8-azaspiro[4.5]decane
CID 91145846

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The IUPAC name of 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene (CID 90976405) is 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene.
What is the SMILES notation for 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The canonical SMILES for 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is CC1(C)CC2(CC(C)(C)N1OCCc1ccc(OCC3CO3)cc1)OCC=CCO2.
What is the InChIKey of 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
The InChIKey is DCGOIBXAJPAKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO5/c1-22(2)17-24(28-12-5-6-13-29-24)18-23(3,4)25(22)30-14-11-19-7-9-20(10-8-19)26-15-21-16-27-21/h5-10,21H,11-18H2,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene?
2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene has a molecular weight of 417.55 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-3-[2-[4-(oxiran-2-ylmethoxy)phenyl]ethoxy]-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene is sourced from PubChem (CID 90976405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).