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

C24H39NO3 — CID 59554000

IUPAC8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(CC(C)(CC)N1OC(C)c1ccccc1)OCC(C)(C)CO2
InChIInChI=1S/C24H39NO3/c1-8-22(6)15-24(26-17-21(4,5)18-27-24)16-23(7,9-2)25(22)28-19(3)20-13-11-10-12-14-20/h10-14,19H,8-9,15-18H2,1-7H3
InChIKeyZGUFWQWXSAOYNO-UHFFFAOYSA-N
MW389.58 g/mol
LogP5.88
Rot. Bonds5

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

8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (PubChem CID 59554000) has the molecular formula C24H39NO3 and a molecular weight of 389.58 g/mol. Its IUPAC name is 8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.

Molecular Properties

Compound Name8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
PubChem CID59554000
Molecular FormulaC24H39NO3
Molecular Weight389.58 g/mol
Exact Mass389.29
IUPAC Name8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
SMILESCCC1(C)CC2(CC(C)(CC)N1OC(C)c1ccccc1)OCC(C)(C)CO2
InChIInChI=1S/C24H39NO3/c1-8-22(6)15-24(26-17-21(4,5)18-27-24)16-23(7,9-2)25(22)28-19(3)20-13-11-10-12-14-20/h10-14,19H,8-9,15-18H2,1-7H3
InChIKeyZGUFWQWXSAOYNO-UHFFFAOYSA-N
XLogP5.88
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.58
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;3,3,8,8,10,10-hexamethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 142146379
3-ethyl-3-[6-[[3-ethyl-8,8,10,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methoxy]hexoxymethyl]-8,8,10,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 58668853
2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-amine
CID 69411966
2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-ol
CID 22341851
2',2'-diethyl-6',6'-dimethyl-1'-(1-phenylethoxy)spiro[3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2,4'-piperidine]
CID 58982491
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
2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]oxy-2-oxoacetic acid
CID 141020106
4,4-dicyclohexyloxy-2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidine
CID 58982350
2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one
CID 71374560
3-[4-[[7,9-diethyl-6,7,9-trimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methoxy]butoxymethyl]-7,9-diethyl-6,7,9-trimethyl-8-(1-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
CID 58982426
1-tert-butyl-3,5-diethyl-3,5-dimethyl-4-(1-phenylethoxy)piperazin-2-one
CID 18760474
1-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]-3,4-dimethylpyrrole-2,5-dione
CID 22992818

Frequently Asked Questions

What is the IUPAC name of 8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The IUPAC name of 8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane (CID 59554000) is 8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane.
What is the SMILES notation for 8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The canonical SMILES for 8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is CCC1(C)CC2(CC(C)(CC)N1OC(C)c1ccccc1)OCC(C)(C)CO2.
What is the InChIKey of 8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
The InChIKey is ZGUFWQWXSAOYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO3/c1-8-22(6)15-24(26-17-21(4,5)18-27-24)16-23(7,9-2)25(22)28-19(3)20-13-11-10-12-14-20/h10-14,19H,8-9,15-18H2,1-7H3.
What are the key properties of 8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane?
8,10-diethyl-3,3,8,10-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane has a molecular weight of 389.58 g/mol, XLogP of 5.88, 5 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-tetramethyl-9-(1-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane is sourced from PubChem (CID 59554000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).