2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

C81H118N6O14 — CID 20510593

About 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate

2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 20510593) has the molecular formula C81H118N6O14 and a molecular weight of 1399.86 g/mol. Its IUPAC name is 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

Molecular Properties

• Compound Name: 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• PubChem CID: 20510593
• Molecular Formula: C81H118N6O14
• Molecular Weight: 1399.86 g/mol
• Exact Mass: 1398.87
• IUPAC Name: 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
• SMILES: CC(C)(C)c1cc(CCC(=O)OCCN2C(=O)NC3(CC(C)(C)N(CC(O)COc4ccc(C(C)(C)c5ccc(OCC(O)CN6C(C)(C)CC7(CC6(C)C)NC(=O)N(CCOC(=O)CCc6cc(C(C)(C)C)c(O)c(C(C)(C)C)c6)C7=O)cc5)cc4)C(C)(C)C3)C2=O)cc(C(C)(C)C)c1O
• InChI: InChI=1S/C81H118N6O14/c1-71(2,3)59-39-51(40-60(65(59)92)72(4,5)6)23-33-63(90)98-37-35-84-67(94)80(82-69(84)96)47-75(13,14)86(76(15,16)48-80)43-55(88)45-100-57-29-25-53(26-30-57)79(21,22)54-27-31-58(32-28-54)101-46-56(89)44-87-77(17,18)49-81(50-78(87,19)20)68(95)85(70(97)83-81)36-38-99-64(91)34-24-52-41-61(73(7,8)9)66(93)62(42-52)74(10,11)12/h25-32,39-42,55-56,88-89,92-93H,23-24,33-38,43-50H2,1-22H3,(H,82,96)(H,83,97)
• InChIKey: IWNNFQOBRQJEMD-UHFFFAOYSA-N
• XLogP: 12.33
• TPSA: 257.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 24
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1399.86
LogP ≤ 5	12.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The IUPAC name of 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (CID 20510593) is 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.

What is the SMILES notation for 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The canonical SMILES for 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is CC(C)(C)c1cc(CCC(=O)OCCN2C(=O)NC3(CC(C)(C)N(CC(O)COc4ccc(C(C)(C)c5ccc(OCC(O)CN6C(C)(C)CC7(CC6(C)C)NC(=O)N(CCOC(=O)CCc6cc(C(C)(C)C)c(O)c(C(C)(C)C)c6)C7=O)cc5)cc4)C(C)(C)C3)C2=O)cc(C(C)(C)C)c1O.

What is the InChIKey of 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

The InChIKey is IWNNFQOBRQJEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H118N6O14/c1-71(2,3)59-39-51(40-60(65(59)92)72(4,5)6)23-33-63(90)98-37-35-84-67(94)80(82-69(84)96)47-75(13,14)86(76(15,16)48-80)43-55(88)45-100-57-29-25-53(26-30-57)79(21,22)54-27-31-58(32-28-54)101-46-56(89)44-87-77(17,18)49-81(50-78(87,19)20)68(95)85(70(97)83-81)36-38-99-64(91)34-24-52-41-61(73(7,8)9)66(93)62(42-52)74(10,11)12/h25-32,39-42,55-56,88-89,92-93H,23-24,33-38,43-50H2,1-22H3,(H,82,96)(H,83,97).

What are the key properties of 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate?

2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate has a molecular weight of 1399.86 g/mol, XLogP of 12.33, 24 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-[3-[4-[2-[4-[3-[3-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl]-7,7,9,9-tetramethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate is sourced from PubChem (CID 20510593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).