zinc bis(2-hydroxyhexadecanoate)

C32H62O6Zn — CID 159204851

IUPACzinc bis(2-hydroxyhexadecanoate)
SMILESCCCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCCCC(O)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C16H32O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19;/h2*15,17H,2-14H2,1H3,(H,18,19);/q;;+2/p-2
InChIKeyKPTBZXMDFWMCHK-UHFFFAOYSA-L
MW608.23 g/mol
LogP6.37
Rot. Bonds28

About zinc bis(2-hydroxyhexadecanoate)

zinc bis(2-hydroxyhexadecanoate) (PubChem CID 159204851) has the molecular formula C32H62O6Zn and a molecular weight of 608.23 g/mol. Its IUPAC name is zinc bis(2-hydroxyhexadecanoate).

Molecular Properties

Compound Namezinc bis(2-hydroxyhexadecanoate)
PubChem CID159204851
Molecular FormulaC32H62O6Zn
Molecular Weight608.23 g/mol
Exact Mass606.38
IUPAC Namezinc bis(2-hydroxyhexadecanoate)
SMILESCCCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCCCC(O)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C16H32O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19;/h2*15,17H,2-14H2,1H3,(H,18,19);/q;;+2/p-2
InChIKeyKPTBZXMDFWMCHK-UHFFFAOYSA-L
XLogP6.37
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.23
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxyoctadecanoate
CID 21145041
2-hydroxydocosanoate
CID 22361325
azanium 2-hydroxydodecanoate
CID 139935066
strontium bis(2-hydroxytetradecanoate)
CID 19990057
(2R)-2-hydroxyheptanoate
CID 7054559
bis(butan-1-olate);bis(2-hydroxydecanoate);titanium(4+)
CID 173116616
magnesium bis(2-hydroxyhexanoate)
CID 139844837
sodium (Z)-2-hydroxyicos-11-enoate
CID 141048065
(12Z,15Z,18Z,21Z,24Z)-2-hydroxytriaconta-12,15,18,21,24-pentaenoate
CID 86583452
sodium 5-heptyl-2-hydroxy-4-oxotetradecanoate
CID 88635824
2-hydroxydecanoic acid
CID 161255514
2-hydroxytridecanoic acid
CID 5282901

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-hydroxyhexadecanoate)?
The IUPAC name of zinc bis(2-hydroxyhexadecanoate) (CID 159204851) is zinc bis(2-hydroxyhexadecanoate).
What is the SMILES notation for zinc bis(2-hydroxyhexadecanoate)?
The canonical SMILES for zinc bis(2-hydroxyhexadecanoate) is CCCCCCCCCCCCCCC(O)C(=O)[O-].CCCCCCCCCCCCCCC(O)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis(2-hydroxyhexadecanoate)?
The InChIKey is KPTBZXMDFWMCHK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H32O3.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19;/h2*15,17H,2-14H2,1H3,(H,18,19);/q;;+2/p-2.
What are the key properties of zinc bis(2-hydroxyhexadecanoate)?
zinc bis(2-hydroxyhexadecanoate) has a molecular weight of 608.23 g/mol, XLogP of 6.37, 28 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-hydroxyhexadecanoate) is sourced from PubChem (CID 159204851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).