3,7,11,15-tetramethylhexadecanoate

C20H39O2- — CID 11966211

IUPAC3,7,11,15-tetramethylhexadecanoate
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)/p-1
InChIKeyRLCKHJSFHOZMDR-UHFFFAOYSA-M
MW311.53 g/mol
LogP5.20
Rot. Bonds14

About 3,7,11,15-tetramethylhexadecanoate

3,7,11,15-tetramethylhexadecanoate (PubChem CID 11966211) has the molecular formula C20H39O2- and a molecular weight of 311.53 g/mol. Its IUPAC name is 3,7,11,15-tetramethylhexadecanoate.

Molecular Properties

Compound Name3,7,11,15-tetramethylhexadecanoate
PubChem CID11966211
Molecular FormulaC20H39O2-
Molecular Weight311.53 g/mol
Exact Mass311.30
IUPAC Name3,7,11,15-tetramethylhexadecanoate
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)/p-1
InChIKeyRLCKHJSFHOZMDR-UHFFFAOYSA-M
XLogP5.20
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.53
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7,11,15-tetramethylhexadecanoate?
The IUPAC name of 3,7,11,15-tetramethylhexadecanoate (CID 11966211) is 3,7,11,15-tetramethylhexadecanoate.
What is the SMILES notation for 3,7,11,15-tetramethylhexadecanoate?
The canonical SMILES for 3,7,11,15-tetramethylhexadecanoate is CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)[O-].
What is the InChIKey of 3,7,11,15-tetramethylhexadecanoate?
The InChIKey is RLCKHJSFHOZMDR-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3,7,11,15-tetramethylhexadecanoate?
3,7,11,15-tetramethylhexadecanoate has a molecular weight of 311.53 g/mol, XLogP of 5.20, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11,15-tetramethylhexadecanoate is sourced from PubChem (CID 11966211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).