8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane

C26H43NO4 — CID 90887161

IUPAC8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCC(C)(COC)CO2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C26H43NO4/c1-8-24(5)17-26(29-19-23(4,18-28-7)20-30-26)21(3)25(6,9-2)27(24)31-16-15-22-13-11-10-12-14-22/h10-14,21H,8-9,15-20H2,1-7H3
InChIKeyZBAWHEDMGQQMLJ-UHFFFAOYSA-N
MW433.63 g/mol
LogP5.24
Rot. Bonds8

About 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane

8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 90887161) has the molecular formula C26H43NO4 and a molecular weight of 433.63 g/mol. Its IUPAC name is 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID90887161
Molecular FormulaC26H43NO4
Molecular Weight433.63 g/mol
Exact Mass433.32
IUPAC Name8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCC(C)(COC)CO2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C26H43NO4/c1-8-24(5)17-26(29-19-23(4,18-28-7)20-30-26)21(3)25(6,9-2)27(24)31-16-15-22-13-11-10-12-14-22/h10-14,21H,8-9,15-20H2,1-7H3
InChIKeyZBAWHEDMGQQMLJ-UHFFFAOYSA-N
XLogP5.24
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.63
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (CID 90887161) is 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(C)CC2(OCC(C)(COC)CO2)C(C)C(C)(CC)N1OCCc1ccccc1.
What is the InChIKey of 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is ZBAWHEDMGQQMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO4/c1-8-24(5)17-26(29-19-23(4,18-28-7)20-30-26)21(3)25(6,9-2)27(24)31-16-15-22-13-11-10-12-14-22/h10-14,21H,8-9,15-20H2,1-7H3.
What are the key properties of 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 433.63 g/mol, XLogP of 5.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diethyl-3-(methoxymethyl)-3,8,10,11-tetramethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 90887161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).