[(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate

C22H39NO6 — CID 142185070

IUPAC[(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate
SMILESCCC1(COC(C)=O)COC2(C[C@@](C)(CC)N(OC(C)=O)C(C)(CC)C2C)OC1
InChIInChI=1S/C22H39NO6/c1-9-19(7)12-22(16(4)20(8,10-2)23(19)29-18(6)25)27-14-21(11-3,15-28-22)13-26-17(5)24/h16H,9-15H2,1-8H3/t16?,19-,20?,21?,22?/m1/s1
InChIKeyUICVMIRVCQUPGQ-YKKBHYFTSA-N
MW413.56 g/mol
LogP3.85
Rot. Bonds6

About [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate

[(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate (PubChem CID 142185070) has the molecular formula C22H39NO6 and a molecular weight of 413.56 g/mol. Its IUPAC name is [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate.

Molecular Properties

Compound Name[(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate
PubChem CID142185070
Molecular FormulaC22H39NO6
Molecular Weight413.56 g/mol
Exact Mass413.28
IUPAC Name[(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate
SMILESCCC1(COC(C)=O)COC2(C[C@@](C)(CC)N(OC(C)=O)C(C)(CC)C2C)OC1
InChIInChI=1S/C22H39NO6/c1-9-19(7)12-22(16(4)20(8,10-2)23(19)29-18(6)25)27-14-21(11-3,15-28-22)13-26-17(5)24/h16H,9-15H2,1-8H3/t16?,19-,20?,21?,22?/m1/s1
InChIKeyUICVMIRVCQUPGQ-YKKBHYFTSA-N
XLogP3.85
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate with MolForge

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Launch Full Analysis

Related Compounds

(9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl octadeca-2,4,6,8,10,12,14,16-octaynoate
CID 21026389
(7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
CID 22182295
(3,8,10-triethyl-8,10,11-trimethyl-9-octadecanoyloxy-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl octadecanoate
CID 59696848
[8,10-diethyl-3,8,10,11-tetramethyl-3-(3-oxobutyl)-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl] acetate
CID 129018743
[(3S)-8-acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl]methyl acetate
CID 142185067
[3,8,10-triethyl-8,10,11-trimethyl-9-(3-methyloxiran-2-yl)oxy-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl octadecanoate
CID 155328101
(9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl octadecanoate;methane;4-N,4-N,6-N,6-N-tetrabutyl-2-N-[6-[[4-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[6-[[4-(dibutylamino)-6-nonan-5-yl-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 159890151
(3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate
CID 139888921
[4-[acetyl(butyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate;[4-[acetyl(2,2-dimethylpropanoyl)amino]-2,2,6,6-tetramethylpiperidin-1-yl] 2,2-dimethylpropanoate;(9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate;(9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl octadecanoate;(7,9-diethyl-7,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate;(3,3,8,8,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate;[2,2,6,6-tetramethyl-1-(2,2,2-trifluoroacetyl)oxypiperidin-4-yl] 2,2,2-trifluoroacetate
CID 159172363
(1'-acetyloxy-2',6'-diethyl-2',3',6,6'-tetramethylspiro[4H-1,3-benzodioxine-2,4'-piperidine]-8-yl)methyl acetate;benzyl (3,8,10-triethyl-8,10,11-trimethyl-9-phenylmethoxycarbonyloxy-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl carbonate;dodecyl 1',7-diacetyloxy-2',6'-diethyl-2',3',6'-trimethylspiro[1,3-benzodioxole-2,4'-piperidine]-5-carboxylate
CID 157452457
3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-3-[6-[(3,8,10-triethyl-9-hydroxy-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-2,4-dioxa-9-azaspiro[5.5]undecane
CID 91329171
2-N-[6-[[4-[6-[[4,6-bis(dibutylamino)-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-6-[butyl-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]-1,3,5-triazin-2-yl]-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)amino]hexyl]-4-N,4-N,6-N,6-N-tetrabutyl-2-N-(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine;(3,8,10-triethyl-8,9,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl octadecanoate
CID 167688857

Frequently Asked Questions

What is the IUPAC name of [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate?
The IUPAC name of [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate (CID 142185070) is [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate.
What is the SMILES notation for [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate?
The canonical SMILES for [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate is CCC1(COC(C)=O)COC2(C[C@@](C)(CC)N(OC(C)=O)C(C)(CC)C2C)OC1.
What is the InChIKey of [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate?
The InChIKey is UICVMIRVCQUPGQ-YKKBHYFTSA-N. The full InChI is InChI=1S/C22H39NO6/c1-9-19(7)12-22(16(4)20(8,10-2)23(19)29-18(6)25)27-14-21(11-3,15-28-22)13-26-17(5)24/h16H,9-15H2,1-8H3/t16?,19-,20?,21?,22?/m1/s1.
What are the key properties of [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate?
[(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate has a molecular weight of 413.56 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-9-acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate is sourced from PubChem (CID 142185070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).