10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid

C30H56N2O4 — CID 66781134

IUPAC10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid
SMILESCN1C(C)(C)CC(OC(=O)CCC(CCCCCC(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O4/c1-27(2)18-23(19-28(3,4)31(27)9)22(14-12-11-13-15-25(33)34)16-17-26(35)36-24-20-29(5,6)32(10)30(7,8)21-24/h22-24H,11-21H2,1-10H3,(H,33,34)
InChIKeyNREUJAMIKBJKQG-UHFFFAOYSA-N
MW508.79 g/mol
LogP6.51
Rot. Bonds11

About 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid

10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid (PubChem CID 66781134) has the molecular formula C30H56N2O4 and a molecular weight of 508.79 g/mol. Its IUPAC name is 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid.

Molecular Properties

Compound Name10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid
PubChem CID66781134
Molecular FormulaC30H56N2O4
Molecular Weight508.79 g/mol
Exact Mass508.42
IUPAC Name10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid
SMILESCN1C(C)(C)CC(OC(=O)CCC(CCCCCC(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C30H56N2O4/c1-27(2)18-23(19-28(3,4)31(27)9)22(14-12-11-13-15-25(33)34)16-17-26(35)36-24-20-29(5,6)32(10)30(7,8)21-24/h22-24H,11-21H2,1-10H3,(H,33,34)
InChIKeyNREUJAMIKBJKQG-UHFFFAOYSA-N
XLogP6.51
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.79
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-oxo-4-(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyhexanoic acid
CID 54164307
decanedioic acid;10-methoxy-10-oxo-3-(1,2,2,6,6-pentamethylpiperidin-4-yl)decanoic acid
CID 174929371
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
CID 101128218
CID 101128218
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate;1-O-methyl 3-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) propanedioate
CID 163506972

Frequently Asked Questions

What is the IUPAC name of 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid?
The IUPAC name of 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid (CID 66781134) is 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid.
What is the SMILES notation for 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid?
The canonical SMILES for 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid is CN1C(C)(C)CC(OC(=O)CCC(CCCCCC(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid?
The InChIKey is NREUJAMIKBJKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N2O4/c1-27(2)18-23(19-28(3,4)31(27)9)22(14-12-11-13-15-25(33)34)16-17-26(35)36-24-20-29(5,6)32(10)30(7,8)21-24/h22-24H,11-21H2,1-10H3,(H,33,34).
What are the key properties of 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid?
10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid has a molecular weight of 508.79 g/mol, XLogP of 6.51, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-7-(1,2,2,6,6-pentamethylpiperidin-4-yl)-10-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxydecanoic acid is sourced from PubChem (CID 66781134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).