10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid

C38H72N2O6 — CID 175533215

IUPAC10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid
SMILESCCCCCON1CCC(OC(=O)C(CCCCCCCC(=O)O)C2CCN(OCCCCC)C(C)(C)C2(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C38H72N2O6/c1-11-13-20-28-44-39-26-24-31(35(3,4)37(39,7)8)30(22-18-16-15-17-19-23-33(41)42)34(43)46-32-25-27-40(45-29-21-14-12-2)38(9,10)36(32,5)6/h30-32H,11-29H2,1-10H3,(H,41,42)
InChIKeyCNGPZIAEVMFEGA-UHFFFAOYSA-N
MW653.00 g/mol
LogP9.21
Rot. Bonds21

About 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid

10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid (PubChem CID 175533215) has the molecular formula C38H72N2O6 and a molecular weight of 653.00 g/mol. Its IUPAC name is 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid.

Molecular Properties

Compound Name10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid
PubChem CID175533215
Molecular FormulaC38H72N2O6
Molecular Weight653.00 g/mol
Exact Mass652.54
IUPAC Name10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid
SMILESCCCCCON1CCC(OC(=O)C(CCCCCCCC(=O)O)C2CCN(OCCCCC)C(C)(C)C2(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C38H72N2O6/c1-11-13-20-28-44-39-26-24-31(35(3,4)37(39,7)8)30(22-18-16-15-17-19-23-33(41)42)34(43)46-32-25-27-40(45-29-21-14-12-2)38(9,10)36(32,5)6/h30-32H,11-29H2,1-10H3,(H,41,42)
InChIKeyCNGPZIAEVMFEGA-UHFFFAOYSA-N
XLogP9.21
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.00
LogP ≤ 59.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid
CID 174622052
2,2,3,3-tetramethyl-1-pentoxypiperidin-4-amine
CID 175412176
15-pentoxypentadecanoic acid
CID 89280169
18-(12-hydroxyoctadecoxy)octadecanoic acid
CID 121473917
5-(2-hydroxyheptadecoxy)pentanoic acid
CID 139709374
acetic acid;dodecanoic acid;1-tetradecoxytetradecane
CID 158382459
11-octoxycarbonylheptadecanoic acid
CID 22496673
23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619
dodecane-1,1-diol;bis(dodecanoic acid)
CID 121388000
decanedioic acid;tetradecane-1,1-diol
CID 175902897
dodecane-1,1-diol;hexanedioic acid
CID 160695318

Frequently Asked Questions

What is the IUPAC name of 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid?
The IUPAC name of 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid (CID 175533215) is 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid.
What is the SMILES notation for 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid?
The canonical SMILES for 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid is CCCCCON1CCC(OC(=O)C(CCCCCCCC(=O)O)C2CCN(OCCCCC)C(C)(C)C2(C)C)C(C)(C)C1(C)C.
What is the InChIKey of 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid?
The InChIKey is CNGPZIAEVMFEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H72N2O6/c1-11-13-20-28-44-39-26-24-31(35(3,4)37(39,7)8)30(22-18-16-15-17-19-23-33(41)42)34(43)46-32-25-27-40(45-29-21-14-12-2)38(9,10)36(32,5)6/h30-32H,11-29H2,1-10H3,(H,41,42).
What are the key properties of 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid?
10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid has a molecular weight of 653.00 g/mol, XLogP of 9.21, 21 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid is sourced from PubChem (CID 175533215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).