3,7,11,15-tetramethylhexadecanoic acid

C20H40O2 — CID 26840

IUPAC3,7,11,15-tetramethylhexadecanoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O
InChIInChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
InChIKeyRLCKHJSFHOZMDR-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.54
Rot. Bonds14

About 3,7,11,15-tetramethylhexadecanoic acid

3,7,11,15-tetramethylhexadecanoic acid (PubChem CID 26840) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadecanoic acid.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadecanoic acid
PubChem CID26840
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name3,7,11,15-tetramethylhexadecanoic acid
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O
InChIInChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22)
InChIKeyRLCKHJSFHOZMDR-UHFFFAOYSA-N
XLogP6.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Palmitic Acid
CID 985
Stearic Acid
CID 5281
Docosanoic Acid
CID 8215
2-Ethylhexanoic Acid
CID 8697
Heptadecanoic Acid
CID 10465
Hexacosanoic Acid
CID 10469
Eicosanoic Acid
CID 10467
Tetracosanoic Acid
CID 11197
Nonadecanoic Acid
CID 12591
Pristanic acid
CID 123929
Tricosanoic Acid
CID 17085
14-Methylpentadecanoic acid
CID 36247

Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadecanoic acid?
The IUPAC name of 3,7,11,15-tetramethylhexadecanoic acid (CID 26840) is 3,7,11,15-tetramethylhexadecanoic acid.
What is the SMILES notation for 3,7,11,15-tetramethylhexadecanoic acid?
The canonical SMILES for 3,7,11,15-tetramethylhexadecanoic acid is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)O.
What is the InChIKey of 3,7,11,15-tetramethylhexadecanoic acid?
The InChIKey is RLCKHJSFHOZMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h16-19H,6-15H2,1-5H3,(H,21,22).
What are the key properties of 3,7,11,15-tetramethylhexadecanoic acid?
3,7,11,15-tetramethylhexadecanoic acid has a molecular weight of 312.54 g/mol, XLogP of 6.54, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadecanoic acid is sourced from PubChem (CID 26840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).