(7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate

C16H29NO4 — CID 22182295

IUPAC(7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
SMILESCCC1(C)CC2(OCCO2)C(C)C(C)(CC)N1OC(C)=O
InChIInChI=1S/C16H29NO4/c1-7-14(5)11-16(19-9-10-20-16)12(3)15(6,8-2)17(14)21-13(4)18/h12H,7-11H2,1-6H3
InChIKeyJMQTUISYTLLEPI-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.89
Rot. Bonds3

About (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate

(7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate (PubChem CID 22182295) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate.

Molecular Properties

Compound Name(7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
PubChem CID22182295
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name(7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
SMILESCCC1(C)CC2(OCCO2)C(C)C(C)(CC)N1OC(C)=O
InChIInChI=1S/C16H29NO4/c1-7-14(5)11-16(19-9-10-20-16)12(3)15(6,8-2)17(14)21-13(4)18/h12H,7-11H2,1-6H3
InChIKeyJMQTUISYTLLEPI-UHFFFAOYSA-N
XLogP2.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate with MolForge

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Related Compounds

(1-Acetyloxy-2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) acetate
CID 20792533
(3,3,8,8,10,10,11-Heptamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate
CID 21026384
(6,7,7,9,9-Pentamethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate
CID 21026397
(9-Acetyloxy-8,10-diethyl-3,8,10,11-tetramethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate
CID 21026398
7,9-Diethyl-6,7,9-trimethyl-8-oxido-1,4-dioxa-8-azoniaspiro[4.5]decane
CID 22182219
(8-Acetyloxy-7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-3-yl)methyl acetate
CID 22182234
(9-Acetyloxy-3,8,10-triethyl-8,10,11-trimethyl-1,5-dioxa-9-azaspiro[5.5]undecan-3-yl)methyl acetate
CID 22182287
(8,10-Diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate
CID 23118783
7,9-Diethyl-8-hydroxy-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 57305078
CID 58974129
CID 58974129
CID 58982252
CID 58982252
CID 58982267
CID 58982267

Frequently Asked Questions

What is the IUPAC name of (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate?
The IUPAC name of (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate (CID 22182295) is (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate.
What is the SMILES notation for (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate?
The canonical SMILES for (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate is CCC1(C)CC2(OCCO2)C(C)C(C)(CC)N1OC(C)=O.
What is the InChIKey of (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate?
The InChIKey is JMQTUISYTLLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-7-14(5)11-16(19-9-10-20-16)12(3)15(6,8-2)17(14)21-13(4)18/h12H,7-11H2,1-6H3.
What are the key properties of (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate?
(7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate has a molecular weight of 299.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7,9-diethyl-6,7,9-trimethyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl) acetate is sourced from PubChem (CID 22182295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).