(3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate

C17H31NO5 — CID 139888921

IUPAC(3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate
SMILESCCC1(COC(C)=O)COC2(CC(C)(C)N(O)C(C)(C)C2)OC1
InChIInChI=1S/C17H31NO5/c1-7-16(10-21-13(2)19)11-22-17(23-12-16)8-14(3,4)18(20)15(5,6)9-17/h20H,7-12H2,1-6H3
InChIKeyLRGBHYRCGBKUJI-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.73
Rot. Bonds3

About (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate

(3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate (PubChem CID 139888921) has the molecular formula C17H31NO5 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate.

Molecular Properties

Compound Name(3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate
PubChem CID139888921
Molecular FormulaC17H31NO5
Molecular Weight329.44 g/mol
Exact Mass329.22
IUPAC Name(3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate
SMILESCCC1(COC(C)=O)COC2(CC(C)(C)N(O)C(C)(C)C2)OC1
InChIInChI=1S/C17H31NO5/c1-7-16(10-21-13(2)19)11-22-17(23-12-16)8-14(3,4)18(20)15(5,6)9-17/h20H,7-12H2,1-6H3
InChIKeyLRGBHYRCGBKUJI-UHFFFAOYSA-N
XLogP2.73
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,10,10-triethyl-9-hydroxy-8,8-dimethyl-3-[6-[(3,10,10-triethyl-9-hydroxy-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]hexoxymethyl]-1,5-dioxa-9-azaspiro[5.5]undecane
CID 69267645
ethyl 3-[(3-ethyl-8,8,9,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxy]prop-2-enoate
CID 57102499
2-[3-(acetyloxymethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]ethyl acetate
CID 57135066
[9-(cyanomethyl)-3,8,8,10,10-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl]methyl acetate
CID 57177142
[(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
1-[(3-ethyl-8,8,10,10-tetramethyl-9-undecoxy-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methoxycarbonyloxy]propan-2-yl (3-ethyl-8,8,10,10-tetramethyl-9-undecoxy-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl carbonate
CID 88871427
(3,10,10-triethyl-8,8-dimethyl-9-sulfanyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methanol
CID 142146351
(2-methyloxiran-2-yl)methyl acetate
CID 10103200
[5-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl]methyl-trimethylazanium
CID 135121813
(3,3,10,10-tetraethyl-8,8-dimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)oxidanium
CID 163942541
CID 59906669
CID 59906669
bis(3,8,8,9,10,10-hexamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl) pentanedioate
CID 135254049

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate?
The IUPAC name of (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate (CID 139888921) is (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate.
What is the SMILES notation for (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate?
The canonical SMILES for (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate is CCC1(COC(C)=O)COC2(CC(C)(C)N(O)C(C)(C)C2)OC1.
What is the InChIKey of (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate?
The InChIKey is LRGBHYRCGBKUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO5/c1-7-16(10-21-13(2)19)11-22-17(23-12-16)8-14(3,4)18(20)15(5,6)9-17/h20H,7-12H2,1-6H3.
What are the key properties of (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate?
(3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate has a molecular weight of 329.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-9-hydroxy-8,8,10,10-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate is sourced from PubChem (CID 139888921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).