6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate

C36H60N6O8 — CID 54160334

IUPAC6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate
SMILESCC(C(=O)OCCCCCCOC(=O)C(C)N1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O)N1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C36H60N6O8/c1-23(41-27(45)35(37-29(41)47)19-31(3,4)39(11)32(5,6)20-35)25(43)49-17-15-13-14-16-18-50-26(44)24(2)42-28(46)36(38-30(42)48)21-33(7,8)40(12)34(9,10)22-36/h23-24H,13-22H2,1-12H3,(H,37,47)(H,38,48)
InChIKeyONYUFLLWBBLTKG-UHFFFAOYSA-N
MW704.91 g/mol
LogP3.56
Rot. Bonds11

About 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate

6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate (PubChem CID 54160334) has the molecular formula C36H60N6O8 and a molecular weight of 704.91 g/mol. Its IUPAC name is 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate.

Molecular Properties

Compound Name6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate
PubChem CID54160334
Molecular FormulaC36H60N6O8
Molecular Weight704.91 g/mol
Exact Mass704.45
IUPAC Name6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate
SMILESCC(C(=O)OCCCCCCOC(=O)C(C)N1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O)N1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O
InChIInChI=1S/C36H60N6O8/c1-23(41-27(45)35(37-29(41)47)19-31(3,4)39(11)32(5,6)20-35)25(43)49-17-15-13-14-16-18-50-26(44)24(2)42-28(46)36(38-30(42)48)21-33(7,8)40(12)34(9,10)22-36/h23-24H,13-22H2,1-12H3,(H,37,47)(H,38,48)
InChIKeyONYUFLLWBBLTKG-UHFFFAOYSA-N
XLogP3.56
TPSA157.90 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500704.91
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate?
The IUPAC name of 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate (CID 54160334) is 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate.
What is the SMILES notation for 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate?
The canonical SMILES for 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate is CC(C(=O)OCCCCCCOC(=O)C(C)N1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O)N1C(=O)NC2(CC(C)(C)N(C)C(C)(C)C2)C1=O.
What is the InChIKey of 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate?
The InChIKey is ONYUFLLWBBLTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H60N6O8/c1-23(41-27(45)35(37-29(41)47)19-31(3,4)39(11)32(5,6)20-35)25(43)49-17-15-13-14-16-18-50-26(44)24(2)42-28(46)36(38-30(42)48)21-33(7,8)40(12)34(9,10)22-36/h23-24H,13-22H2,1-12H3,(H,37,47)(H,38,48).
What are the key properties of 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate?
6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate has a molecular weight of 704.91 g/mol, XLogP of 3.56, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoyloxy]hexyl 2-(7,7,8,9,9-pentamethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanoate is sourced from PubChem (CID 54160334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).