10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid

C19H35NO4 — CID 18925805

IUPAC10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid
SMILESCC1C(OC(=O)CCCCCCCCC(=O)O)CCN(C)C1(C)C
InChIInChI=1S/C19H35NO4/c1-15-16(13-14-20(4)19(15,2)3)24-18(23)12-10-8-6-5-7-9-11-17(21)22/h15-16H,5-14H2,1-4H3,(H,21,22)
InChIKeyCMQFUIWLQOVUHD-UHFFFAOYSA-N
MW341.49 g/mol
LogP3.85
Rot. Bonds10

About 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid

10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid (PubChem CID 18925805) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid.

Molecular Properties

Compound Name10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid
PubChem CID18925805
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid
SMILESCC1C(OC(=O)CCCCCCCCC(=O)O)CCN(C)C1(C)C
InChIInChI=1S/C19H35NO4/c1-15-16(13-14-20(4)19(15,2)3)24-18(23)12-10-8-6-5-7-9-11-17(21)22/h15-16H,5-14H2,1-4H3,(H,21,22)
InChIKeyCMQFUIWLQOVUHD-UHFFFAOYSA-N
XLogP3.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid?
The IUPAC name of 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid (CID 18925805) is 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid.
What is the SMILES notation for 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid?
The canonical SMILES for 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid is CC1C(OC(=O)CCCCCCCCC(=O)O)CCN(C)C1(C)C.
What is the InChIKey of 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid?
The InChIKey is CMQFUIWLQOVUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-15-16(13-14-20(4)19(15,2)3)24-18(23)12-10-8-6-5-7-9-11-17(21)22/h15-16H,5-14H2,1-4H3,(H,21,22).
What are the key properties of 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid?
10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid has a molecular weight of 341.49 g/mol, XLogP of 3.85, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-10-(1,2,2,3-tetramethylpiperidin-4-yl)oxydecanoic acid is sourced from PubChem (CID 18925805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).