11,15-dimethylhexadecanoic acid

C18H36O2 — CID 5282701

IUPAC11,15-dimethylhexadecanoic acid
SMILESCC(C)CCCC(C)CCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2/c1-16(2)12-11-14-17(3)13-9-7-5-4-6-8-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyNYKISRLKEWYNPX-UHFFFAOYSA-N
MW284.48 g/mol
LogP6.04
Rot. Bonds14

About 11,15-dimethylhexadecanoic acid

11,15-dimethylhexadecanoic acid (PubChem CID 5282701) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 11,15-dimethylhexadecanoic acid.

Molecular Properties

Compound Name11,15-dimethylhexadecanoic acid
PubChem CID5282701
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name11,15-dimethylhexadecanoic acid
SMILESCC(C)CCCC(C)CCCCCCCCCC(=O)O
InChIInChI=1S/C18H36O2/c1-16(2)12-11-14-17(3)13-9-7-5-4-6-8-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20)
InChIKeyNYKISRLKEWYNPX-UHFFFAOYSA-N
XLogP6.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8,12-dimethyltridecanoic acid
CID 101005175
12,17-dimethyloctadecanoic acid
CID 123475021
19-methylheptatriacontanedioic acid
CID 141009772
16-methylheptadecanoic acid
CID 87200881
iron;6-methylheptanoic acid;7-methyloctanoic acid
CID 56844011
copper;6-methylheptanoic acid;7-methyloctanoic acid
CID 170842842
azane;16-methylheptadecanoic acid
CID 161380406
8-methylnonanoic acid;zinc
CID 175431403
λ2-plumbane;6-methylheptanoic acid
CID 175289081
6-methylheptanoic acid;vanadium
CID 174623955
gadolinium;tris(6-methylheptanoic acid)
CID 176895771
(Z)-13,17,21,25-tetramethylhexacos-5-enoic acid
CID 52929822

Frequently Asked Questions

What is the IUPAC name of 11,15-dimethylhexadecanoic acid?
The IUPAC name of 11,15-dimethylhexadecanoic acid (CID 5282701) is 11,15-dimethylhexadecanoic acid.
What is the SMILES notation for 11,15-dimethylhexadecanoic acid?
The canonical SMILES for 11,15-dimethylhexadecanoic acid is CC(C)CCCC(C)CCCCCCCCCC(=O)O.
What is the InChIKey of 11,15-dimethylhexadecanoic acid?
The InChIKey is NYKISRLKEWYNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-16(2)12-11-14-17(3)13-9-7-5-4-6-8-10-15-18(19)20/h16-17H,4-15H2,1-3H3,(H,19,20).
What are the key properties of 11,15-dimethylhexadecanoic acid?
11,15-dimethylhexadecanoic acid has a molecular weight of 284.48 g/mol, XLogP of 6.04, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,15-dimethylhexadecanoic acid is sourced from PubChem (CID 5282701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).