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

C22H35NO3 — CID 90694059

IUPAC10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(CC)CC2(CC(C)(C)N1OCCc1ccccc1)OCCCO2
InChIInChI=1S/C22H35NO3/c1-5-21(6-2)18-22(24-14-10-15-25-22)17-20(3,4)23(21)26-16-13-19-11-8-7-9-12-19/h7-9,11-12H,5-6,10,13-18H2,1-4H3
InChIKeyFOJNVRGLQUEPIJ-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.73
Rot. Bonds6

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

10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 90694059) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID90694059
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC Name10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(CC)CC2(CC(C)(C)N1OCCc1ccccc1)OCCCO2
InChIInChI=1S/C22H35NO3/c1-5-21(6-2)18-22(24-14-10-15-25-22)17-20(3,4)23(21)26-16-13-19-11-8-7-9-12-19/h7-9,11-12H,5-6,10,13-18H2,1-4H3
InChIKeyFOJNVRGLQUEPIJ-UHFFFAOYSA-N
XLogP4.73
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (CID 90694059) is 10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(CC)CC2(CC(C)(C)N1OCCc1ccccc1)OCCCO2.
What is the InChIKey of 10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is FOJNVRGLQUEPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3/c1-5-21(6-2)18-22(24-14-10-15-25-22)17-20(3,4)23(21)26-16-13-19-11-8-7-9-12-19/h7-9,11-12H,5-6,10,13-18H2,1-4H3.
What are the key properties of 10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 361.53 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 90694059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).