ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate

C21H43NO2 — CID 143528563

IUPACethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate
SMILESCC.CC.CC(=O)ON1C(C)(C)CC2(CC1(C)C)C(C)(C)C2(C)C
InChIInChI=1S/C17H31NO2.2C2H6/c1-12(19)20-18-13(2,3)10-17(11-14(18,4)5)15(6,7)16(17,8)9;2*1-2/h10-11H2,1-9H3;2*1-2H3
InChIKeyYKBRCVGTYDHTQX-UHFFFAOYSA-N
MW341.58 g/mol
LogP6.22
Rot. Bonds1

About ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate

ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate (PubChem CID 143528563) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate.

Molecular Properties

Compound Nameethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate
PubChem CID143528563
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Nameethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate
SMILESCC.CC.CC(=O)ON1C(C)(C)CC2(CC1(C)C)C(C)(C)C2(C)C
InChIInChI=1S/C17H31NO2.2C2H6/c1-12(19)20-18-13(2,3)10-17(11-14(18,4)5)15(6,7)16(17,8)9;2*1-2/h10-11H2,1-9H3;2*1-2H3
InChIKeyYKBRCVGTYDHTQX-UHFFFAOYSA-N
XLogP6.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate with MolForge

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Related Compounds

(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
(2,2,5,5-tetramethyl-3-nitrooxypyrrolidin-1-yl) acetate
CID 85469840
(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen carbonate
CID 22150807
[4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate
CID 20792527
(2,2,6,6-tetramethylpiperidin-1-yl) N,N-dimethylcarbamate
CID 10242897
(7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
CID 22182295
piperazin-1-yl acetate
CID 54492305
(2,2,6,6-tetramethylpiperidin-1-yl) N-methylcarbamate
CID 167207080
1-acetyloxy-2,2,6,6-tetramethyl-3-(nitrooxymethyl)piperidine-4-carboxylic acid
CID 85470233
2-(1-methylcyclopropyl)ethyl acetate
CID 126994402
[(1S,4S,6Z)-6-hydroxyimino-1,3,3-trimethyl-2-azabicyclo[2.2.2]octan-2-yl] acetate
CID 23308833
[(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

Frequently Asked Questions

What is the IUPAC name of ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate?
The IUPAC name of ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate (CID 143528563) is ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate.
What is the SMILES notation for ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate?
The canonical SMILES for ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate is CC.CC.CC(=O)ON1C(C)(C)CC2(CC1(C)C)C(C)(C)C2(C)C.
What is the InChIKey of ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate?
The InChIKey is YKBRCVGTYDHTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2.2C2H6/c1-12(19)20-18-13(2,3)10-17(11-14(18,4)5)15(6,7)16(17,8)9;2*1-2/h10-11H2,1-9H3;2*1-2H3.
What are the key properties of ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate?
ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate has a molecular weight of 341.58 g/mol, XLogP of 6.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1,1,2,2,5,5,7,7-octamethyl-6-azaspiro[2.5]octan-6-yl) acetate is sourced from PubChem (CID 143528563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).