pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate

C25H43NO2 — CID 69157610

IUPACpyridin-4-yl 3,7,11,15-tetramethylhexadecanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)Oc1ccncc1
InChIInChI=1S/C25H43NO2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-25(27)28-24-15-17-26-18-16-24/h15-18,20-23H,6-14,19H2,1-5H3
InChIKeyKZDIHUWZNYSILS-UHFFFAOYSA-N
MW389.62 g/mol
LogP7.45
Rot. Bonds15

About pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate

pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate (PubChem CID 69157610) has the molecular formula C25H43NO2 and a molecular weight of 389.62 g/mol. Its IUPAC name is pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate.

Molecular Properties

Compound Namepyridin-4-yl 3,7,11,15-tetramethylhexadecanoate
PubChem CID69157610
Molecular FormulaC25H43NO2
Molecular Weight389.62 g/mol
Exact Mass389.33
IUPAC Namepyridin-4-yl 3,7,11,15-tetramethylhexadecanoate
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)Oc1ccncc1
InChIInChI=1S/C25H43NO2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-25(27)28-24-15-17-26-18-16-24/h15-18,20-23H,6-14,19H2,1-5H3
InChIKeyKZDIHUWZNYSILS-UHFFFAOYSA-N
XLogP7.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.62
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 3-methylundecanoate
CID 175110466
3,11-dimethyldodecanoyl 3,11-dimethyldodecanoate
CID 175237310
2-phenoxyethyl 3,7-dimethyloctanoate
CID 59236958
2-hydroxypropyl 3,7,11,15-tetramethylhexadecanoate
CID 166695343
4-(3,7-dimethyloctyl)pyridine
CID 139896876
4-(3,7-dimethyloctanoyloxy)butyl 3,7,11,15-tetramethylhexadecanoate;ethyl 3,7,11,15-tetramethylhexadecanoate;[(E)-octadec-9-enyl] 3,7,11,15-tetramethylhexadecanoate;bis(phenyl 3,7,11,15-tetramethylhexadecanoate);[2-(3,7,11,15-tetramethylhexadecanoyloxy)phenyl] 3,7,11,15-tetramethylhexadecanoate;4-(3,7,11-trimethyldodecanoyloxy)butyl 3,7,11-trimethyldodecanoate
CID 159250960
[(2S)-3-hydroxy-2-methylpropyl] 3,7-dimethyloctanoate
CID 10377179
(4-hexanoyloxyphenyl) 6-methylheptanoate
CID 90025283
pyridin-3-ylmethyl 4,8,12-trimethyltridecanoate
CID 91700200
4-oxo-4-pyridin-4-yloxybutanoic acid
CID 150022305
phenyl 3,7-dimethyloct-6-enoate
CID 142994428
[(2S,3R)-2,3,4-trihydroxybutyl] 3,7,11,15-tetramethylhexadecanoate;hydrate
CID 86620073

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate?
The IUPAC name of pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate (CID 69157610) is pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate.
What is the SMILES notation for pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate?
The canonical SMILES for pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)Oc1ccncc1.
What is the InChIKey of pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate?
The InChIKey is KZDIHUWZNYSILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43NO2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-14-23(5)19-25(27)28-24-15-17-26-18-16-24/h15-18,20-23H,6-14,19H2,1-5H3.
What are the key properties of pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate?
pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate has a molecular weight of 389.62 g/mol, XLogP of 7.45, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl 3,7,11,15-tetramethylhexadecanoate is sourced from PubChem (CID 69157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).