butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate

C56H94N2O5 — CID 90853983

IUPACbutyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate
SMILESCCCCOC(=O)C(CC(C)(C)C(C)c1ccccc1)C(C)(C)C(C)(C)CC(COC)C(C)(C)C(C)(C)CC(c1ccncc1)C(C)(C)ON1C(C)(CC)CC(=O)C(C)C1(C)CC
InChIInChI=1S/C56H94N2O5/c1-21-24-34-62-48(60)46(36-49(6,7)40(4)42-28-26-25-27-29-42)53(14,15)50(8,9)35-44(39-61-20)52(12,13)51(10,11)37-45(43-30-32-57-33-31-43)54(16,17)63-58-55(18,22-2)38-47(59)41(5)56(58,19)23-3/h25-33,40-41,44-46H,21-24,34-39H2,1-20H3
InChIKeyBOWLYWKEQNMCHB-UHFFFAOYSA-N
MW875.38 g/mol
LogP14.45
Rot. Bonds24

About butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate

butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate (PubChem CID 90853983) has the molecular formula C56H94N2O5 and a molecular weight of 875.38 g/mol. Its IUPAC name is butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate.

Molecular Properties

Compound Namebutyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate
PubChem CID90853983
Molecular FormulaC56H94N2O5
Molecular Weight875.38 g/mol
Exact Mass874.72
IUPAC Namebutyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate
SMILESCCCCOC(=O)C(CC(C)(C)C(C)c1ccccc1)C(C)(C)C(C)(C)CC(COC)C(C)(C)C(C)(C)CC(c1ccncc1)C(C)(C)ON1C(C)(CC)CC(=O)C(C)C1(C)CC
InChIInChI=1S/C56H94N2O5/c1-21-24-34-62-48(60)46(36-49(6,7)40(4)42-28-26-25-27-29-42)53(14,15)50(8,9)35-44(39-61-20)52(12,13)51(10,11)37-45(43-30-32-57-33-31-43)54(16,17)63-58-55(18,22-2)38-47(59)41(5)56(58,19)23-3/h25-33,40-41,44-46H,21-24,34-39H2,1-20H3
InChIKeyBOWLYWKEQNMCHB-UHFFFAOYSA-N
XLogP14.45
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds24
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.38
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate?
The IUPAC name of butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate (CID 90853983) is butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate.
What is the SMILES notation for butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate?
The canonical SMILES for butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate is CCCCOC(=O)C(CC(C)(C)C(C)c1ccccc1)C(C)(C)C(C)(C)CC(COC)C(C)(C)C(C)(C)CC(c1ccncc1)C(C)(C)ON1C(C)(CC)CC(=O)C(C)C1(C)CC.
What is the InChIKey of butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate?
The InChIKey is BOWLYWKEQNMCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H94N2O5/c1-21-24-34-62-48(60)46(36-49(6,7)40(4)42-28-26-25-27-29-42)53(14,15)50(8,9)35-44(39-61-20)52(12,13)51(10,11)37-45(43-30-32-57-33-31-43)54(16,17)63-58-55(18,22-2)38-47(59)41(5)56(58,19)23-3/h25-33,40-41,44-46H,21-24,34-39H2,1-20H3.
What are the key properties of butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate?
butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate has a molecular weight of 875.38 g/mol, XLogP of 14.45, 24 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 11-(2,6-diethyl-2,3,6-trimethyl-4-oxopiperidin-1-yl)oxy-2-(2,2-dimethyl-3-phenylbutyl)-6-(methoxymethyl)-3,3,4,4,7,7,8,8,11-nonamethyl-10-pyridin-4-yldodecanoate is sourced from PubChem (CID 90853983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).