16-hydroxy-3,7,11,15-tetramethylhexadecanoate

C20H39O3- — CID 86290131

IUPAC16-hydroxy-3,7,11,15-tetramethylhexadecanoate
SMILESCC(CO)CCCC(C)CCCC(C)CCCC(C)CC(=O)[O-]
InChIInChI=1S/C20H40O3/c1-16(10-6-12-18(3)14-20(22)23)8-5-9-17(2)11-7-13-19(4)15-21/h16-19,21H,5-15H2,1-4H3,(H,22,23)/p-1
InChIKeyCBZPGRKSSXCZLI-UHFFFAOYSA-M
MW327.53 g/mol
LogP4.17
Rot. Bonds15

About 16-hydroxy-3,7,11,15-tetramethylhexadecanoate

16-hydroxy-3,7,11,15-tetramethylhexadecanoate (PubChem CID 86290131) has the molecular formula C20H39O3- and a molecular weight of 327.53 g/mol. Its IUPAC name is 16-hydroxy-3,7,11,15-tetramethylhexadecanoate.

Molecular Properties

Compound Name16-hydroxy-3,7,11,15-tetramethylhexadecanoate
PubChem CID86290131
Molecular FormulaC20H39O3-
Molecular Weight327.53 g/mol
Exact Mass327.29
IUPAC Name16-hydroxy-3,7,11,15-tetramethylhexadecanoate
SMILESCC(CO)CCCC(C)CCCC(C)CCCC(C)CC(=O)[O-]
InChIInChI=1S/C20H40O3/c1-16(10-6-12-18(3)14-20(22)23)8-5-9-17(2)11-7-13-19(4)15-21/h16-19,21H,5-15H2,1-4H3,(H,22,23)/p-1
InChIKeyCBZPGRKSSXCZLI-UHFFFAOYSA-M
XLogP4.17
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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(2R,6R,10R)-2,6,10,14-tetramethylpentadecan-1-ol
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2,7-dimethyloctane-1,8-diol
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2,6-dimethylundecan-1-ol sulfate
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CID 172712223
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Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-3,7,11,15-tetramethylhexadecanoate?
The IUPAC name of 16-hydroxy-3,7,11,15-tetramethylhexadecanoate (CID 86290131) is 16-hydroxy-3,7,11,15-tetramethylhexadecanoate.
What is the SMILES notation for 16-hydroxy-3,7,11,15-tetramethylhexadecanoate?
The canonical SMILES for 16-hydroxy-3,7,11,15-tetramethylhexadecanoate is CC(CO)CCCC(C)CCCC(C)CCCC(C)CC(=O)[O-].
What is the InChIKey of 16-hydroxy-3,7,11,15-tetramethylhexadecanoate?
The InChIKey is CBZPGRKSSXCZLI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H40O3/c1-16(10-6-12-18(3)14-20(22)23)8-5-9-17(2)11-7-13-19(4)15-21/h16-19,21H,5-15H2,1-4H3,(H,22,23)/p-1.
What are the key properties of 16-hydroxy-3,7,11,15-tetramethylhexadecanoate?
16-hydroxy-3,7,11,15-tetramethylhexadecanoate has a molecular weight of 327.53 g/mol, XLogP of 4.17, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-3,7,11,15-tetramethylhexadecanoate is sourced from PubChem (CID 86290131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).