methyl 3,7,11,15-tetramethylhexadecanoate

C21H42O2 — CID 568163

IUPACmethyl 3,7,11,15-tetramethylhexadecanoate
SMILESCOC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C21H42O2/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5)16-21(22)23-6/h17-20H,7-16H2,1-6H3
InChIKeyLAWJUFPULQZGLF-UHFFFAOYSA-N
MW326.57 g/mol
LogP6.62
Rot. Bonds14

About methyl 3,7,11,15-tetramethylhexadecanoate

methyl 3,7,11,15-tetramethylhexadecanoate (PubChem CID 568163) has the molecular formula C21H42O2 and a molecular weight of 326.57 g/mol. Its IUPAC name is methyl 3,7,11,15-tetramethylhexadecanoate.

Molecular Properties

Compound Namemethyl 3,7,11,15-tetramethylhexadecanoate
PubChem CID568163
Molecular FormulaC21H42O2
Molecular Weight326.57 g/mol
Exact Mass326.32
IUPAC Namemethyl 3,7,11,15-tetramethylhexadecanoate
SMILESCOC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C21H42O2/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5)16-21(22)23-6/h17-20H,7-16H2,1-6H3
InChIKeyLAWJUFPULQZGLF-UHFFFAOYSA-N
XLogP6.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3,7,11,15-tetramethylhexadecanoate?
The IUPAC name of methyl 3,7,11,15-tetramethylhexadecanoate (CID 568163) is methyl 3,7,11,15-tetramethylhexadecanoate.
What is the SMILES notation for methyl 3,7,11,15-tetramethylhexadecanoate?
The canonical SMILES for methyl 3,7,11,15-tetramethylhexadecanoate is COC(=O)CC(C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of methyl 3,7,11,15-tetramethylhexadecanoate?
The InChIKey is LAWJUFPULQZGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2/c1-17(2)10-7-11-18(3)12-8-13-19(4)14-9-15-20(5)16-21(22)23-6/h17-20H,7-16H2,1-6H3.
What are the key properties of methyl 3,7,11,15-tetramethylhexadecanoate?
methyl 3,7,11,15-tetramethylhexadecanoate has a molecular weight of 326.57 g/mol, XLogP of 6.62, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,7,11,15-tetramethylhexadecanoate is sourced from PubChem (CID 568163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).