(8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate

C19H35NO4 — CID 23118783

IUPAC(8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate
SMILESCCC1(C)CC2(OCC(C)(C)CO2)C(C)C(C)(CC)N1OC(C)=O
InChIInChI=1S/C19H35NO4/c1-9-17(7)11-19(22-12-16(5,6)13-23-19)14(3)18(8,10-2)20(17)24-15(4)21/h14H,9-13H2,1-8H3
InChIKeyRGIAQSVQYPRKLA-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.91
Rot. Bonds3

About (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate

(8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate (PubChem CID 23118783) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate.

Molecular Properties

Compound Name(8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate
PubChem CID23118783
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name(8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate
SMILESCCC1(C)CC2(OCC(C)(C)CO2)C(C)C(C)(CC)N1OC(C)=O
InChIInChI=1S/C19H35NO4/c1-9-17(7)11-19(22-12-16(5,6)13-23-19)14(3)18(8,10-2)20(17)24-15(4)21/h14H,9-13H2,1-8H3
InChIKeyRGIAQSVQYPRKLA-UHFFFAOYSA-N
XLogP3.91
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate?
The IUPAC name of (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate (CID 23118783) is (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate.
What is the SMILES notation for (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate?
The canonical SMILES for (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate is CCC1(C)CC2(OCC(C)(C)CO2)C(C)C(C)(CC)N1OC(C)=O.
What is the InChIKey of (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate?
The InChIKey is RGIAQSVQYPRKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-9-17(7)11-19(22-12-16(5,6)13-23-19)14(3)18(8,10-2)20(17)24-15(4)21/h14H,9-13H2,1-8H3.
What are the key properties of (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate?
(8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate has a molecular weight of 341.49 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8,10-diethyl-3,3,8,10,11-pentamethyl-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl) acetate is sourced from PubChem (CID 23118783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).