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

C25H41NO3 — CID 91222787

IUPAC8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCC(C)(C)CO2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C25H41NO3/c1-8-23(6)17-25(27-18-22(4,5)19-28-25)20(3)24(7,9-2)26(23)29-16-15-21-13-11-10-12-14-21/h10-14,20H,8-9,15-19H2,1-7H3
InChIKeyHECXAGFQDZRIBZ-UHFFFAOYSA-N
MW403.61 g/mol
LogP5.61
Rot. Bonds6

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

8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 91222787) has the molecular formula C25H41NO3 and a molecular weight of 403.61 g/mol. Its IUPAC name is 8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID91222787
Molecular FormulaC25H41NO3
Molecular Weight403.61 g/mol
Exact Mass403.31
IUPAC Name8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(OCC(C)(C)CO2)C(C)C(C)(CC)N1OCCc1ccccc1
InChIInChI=1S/C25H41NO3/c1-8-23(6)17-25(27-18-22(4,5)19-28-25)20(3)24(7,9-2)26(23)29-16-15-21-13-11-10-12-14-21/h10-14,20H,8-9,15-19H2,1-7H3
InChIKeyHECXAGFQDZRIBZ-UHFFFAOYSA-N
XLogP5.61
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.61
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (CID 91222787) is 8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(C)CC2(OCC(C)(C)CO2)C(C)C(C)(CC)N1OCCc1ccccc1.
What is the InChIKey of 8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is HECXAGFQDZRIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO3/c1-8-23(6)17-25(27-18-22(4,5)19-28-25)20(3)24(7,9-2)26(23)29-16-15-21-13-11-10-12-14-21/h10-14,20H,8-9,15-19H2,1-7H3.
What are the key properties of 8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 403.61 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 91222787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).