12-hydroxydodecanoic acid;zinc

C12H24O3Zn — CID 88673734

IUPAC12-hydroxydodecanoic acid;zinc
SMILESO=C(O)CCCCCCCCCCCO.[Zn]
InChIInChI=1S/C12H24O3.Zn/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;/h13H,1-11H2,(H,14,15);
InChIKeyHMAQUUVVGPKWEX-UHFFFAOYSA-N
MW281.71 g/mol
LogP2.96
Rot. Bonds11

About 12-hydroxydodecanoic acid;zinc

12-hydroxydodecanoic acid;zinc (PubChem CID 88673734) has the molecular formula C12H24O3Zn and a molecular weight of 281.71 g/mol. Its IUPAC name is 12-hydroxydodecanoic acid;zinc.

Molecular Properties

Compound Name12-hydroxydodecanoic acid;zinc
PubChem CID88673734
Molecular FormulaC12H24O3Zn
Molecular Weight281.71 g/mol
Exact Mass280.10
IUPAC Name12-hydroxydodecanoic acid;zinc
SMILESO=C(O)CCCCCCCCCCCO.[Zn]
InChIInChI=1S/C12H24O3.Zn/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;/h13H,1-11H2,(H,14,15);
InChIKeyHMAQUUVVGPKWEX-UHFFFAOYSA-N
XLogP2.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

10-hydroxydecanoic acid
CID 138734563
38-hydroxyoctatriacontanoic acid
CID 18981443
31-hydroxyhentriacontanoic acid
CID 71339995
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butanedioic acid;butane-1,4-diol;decanedioic acid
CID 175347429
CID 162333795
CID 162333795
ethane-1,2-diol;hexanedioic acid;hexane-1,6-diol
CID 174881937
5-hydroxypentanoic acid
CID 25945
ethane;6-hydroxyhexanoic acid
CID 87459132
15-hydroxy-6-oxopentadecanoic acid
CID 154126593
lithium;hydride;5-hydroxypentanoic acid
CID 173343870

Frequently Asked Questions

What is the IUPAC name of 12-hydroxydodecanoic acid;zinc?
The IUPAC name of 12-hydroxydodecanoic acid;zinc (CID 88673734) is 12-hydroxydodecanoic acid;zinc.
What is the SMILES notation for 12-hydroxydodecanoic acid;zinc?
The canonical SMILES for 12-hydroxydodecanoic acid;zinc is O=C(O)CCCCCCCCCCCO.[Zn].
What is the InChIKey of 12-hydroxydodecanoic acid;zinc?
The InChIKey is HMAQUUVVGPKWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3.Zn/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15;/h13H,1-11H2,(H,14,15);.
What are the key properties of 12-hydroxydodecanoic acid;zinc?
12-hydroxydodecanoic acid;zinc has a molecular weight of 281.71 g/mol, XLogP of 2.96, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxydodecanoic acid;zinc is sourced from PubChem (CID 88673734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).