[1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate

C22H41NO5 — CID 54542667

IUPAC[1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate
SMILESCCC1CC(CC(CC(C)O)OC(C)=O)OC2(CC(C)(C)N(C)C(C)(C)C2)O1
InChIInChI=1S/C22H41NO5/c1-9-17-11-19(12-18(10-15(2)24)26-16(3)25)28-22(27-17)13-20(4,5)23(8)21(6,7)14-22/h15,17-19,24H,9-14H2,1-8H3
InChIKeyZEIMQHFRJIJSDJ-UHFFFAOYSA-N
MW399.57 g/mol
LogP3.64
Rot. Bonds6

About [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate

[1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate (PubChem CID 54542667) has the molecular formula C22H41NO5 and a molecular weight of 399.57 g/mol. Its IUPAC name is [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate.

Molecular Properties

Compound Name[1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate
PubChem CID54542667
Molecular FormulaC22H41NO5
Molecular Weight399.57 g/mol
Exact Mass399.30
IUPAC Name[1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate
SMILESCCC1CC(CC(CC(C)O)OC(C)=O)OC2(CC(C)(C)N(C)C(C)(C)C2)O1
InChIInChI=1S/C22H41NO5/c1-9-17-11-19(12-18(10-15(2)24)26-16(3)25)28-22(27-17)13-20(4,5)23(8)21(6,7)14-22/h15,17-19,24H,9-14H2,1-8H3
InChIKeyZEIMQHFRJIJSDJ-UHFFFAOYSA-N
XLogP3.64
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.57
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate with MolForge

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Launch Full Analysis

Related Compounds

bis[(7,7,8,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl] carbonate
CID 54042397
[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate
CID 20683523
[5-(6-ethyl-1,3-dioxan-4-yl)-4-hydroxypentan-2-yl] acetate;methane
CID 158241686
4-acetyloxyhexan-2-yl acetate;butan-2-ol;4-ethyl-6-methyl-2-propyl-1,3-dioxane
CID 160642242
5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
CID 159182178
(7,7,8,9,9-pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl methanesulfonate
CID 88781365
[1-methoxy-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypropan-2-yl] acetate
CID 66868110
[(4S,6R)-6-hydroxy-1-[(4R)-4-methyl-1,5-dioxaspiro[5.5]undecan-4-yl]heptan-4-yl] acetate
CID 11221571
3,7,7-triethyl-8-hydroxy-9,9-dimethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 68842482
butan-2-ol;5-(6-ethyl-2-propyl-1,3-dioxan-4-yl)-4-(1-hydroxyethoxy)pentan-2-ol
CID 159182177
[(2R,4S)-4-hydroxypentan-2-yl] acetate
CID 12014618
butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane
CID 160815637

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate?
The IUPAC name of [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate (CID 54542667) is [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate.
What is the SMILES notation for [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate?
The canonical SMILES for [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate is CCC1CC(CC(CC(C)O)OC(C)=O)OC2(CC(C)(C)N(C)C(C)(C)C2)O1.
What is the InChIKey of [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate?
The InChIKey is ZEIMQHFRJIJSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO5/c1-9-17-11-19(12-18(10-15(2)24)26-16(3)25)28-22(27-17)13-20(4,5)23(8)21(6,7)14-22/h15,17-19,24H,9-14H2,1-8H3.
What are the key properties of [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate?
[1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate has a molecular weight of 399.57 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-4-yl)-4-hydroxypentan-2-yl] acetate is sourced from PubChem (CID 54542667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).