hexadecanoic acid;2,2,6,6-tetramethylpiperidine

C25H51NO2 — CID 175009118

IUPAChexadecanoic acid;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O2.C9H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-8(2)6-5-7-9(3,4)10-8/h2-15H2,1H3,(H,17,18);10H,5-7H2,1-4H3
InChIKeyBEOSFNBXEUDAKO-UHFFFAOYSA-N
MW397.69 g/mol
LogP7.87
Rot. Bonds14

About hexadecanoic acid;2,2,6,6-tetramethylpiperidine

hexadecanoic acid;2,2,6,6-tetramethylpiperidine (PubChem CID 175009118) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is hexadecanoic acid;2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Namehexadecanoic acid;2,2,6,6-tetramethylpiperidine
PubChem CID175009118
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC Namehexadecanoic acid;2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1.CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C16H32O2.C9H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-8(2)6-5-7-9(3,4)10-8/h2-15H2,1H3,(H,17,18);10H,5-7H2,1-4H3
InChIKeyBEOSFNBXEUDAKO-UHFFFAOYSA-N
XLogP7.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 57.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of hexadecanoic acid;2,2,6,6-tetramethylpiperidine?
The IUPAC name of hexadecanoic acid;2,2,6,6-tetramethylpiperidine (CID 175009118) is hexadecanoic acid;2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for hexadecanoic acid;2,2,6,6-tetramethylpiperidine?
The canonical SMILES for hexadecanoic acid;2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1.CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of hexadecanoic acid;2,2,6,6-tetramethylpiperidine?
The InChIKey is BEOSFNBXEUDAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2.C9H19N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-8(2)6-5-7-9(3,4)10-8/h2-15H2,1H3,(H,17,18);10H,5-7H2,1-4H3.
What are the key properties of hexadecanoic acid;2,2,6,6-tetramethylpiperidine?
hexadecanoic acid;2,2,6,6-tetramethylpiperidine has a molecular weight of 397.69 g/mol, XLogP of 7.87, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanoic acid;2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 175009118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).