nickel;bis((Z)-tetradec-9-enoic acid)

C28H52NiO4 — CID 155704204

IUPACnickel;bis((Z)-tetradec-9-enoic acid)
SMILESCCCC/C=C\CCCCCCCC(=O)O.CCCC/C=C\CCCCCCCC(=O)O.[Ni]
InChIInChI=1S/2C14H26O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*5-6H,2-4,7-13H2,1H3,(H,15,16);/b2*6-5-;
InChIKeyGGYXYGXPYUVSNV-VKRZFSCASA-N
MW511.41 g/mol
LogP9.09
Rot. Bonds22

About nickel;bis((Z)-tetradec-9-enoic acid)

nickel;bis((Z)-tetradec-9-enoic acid) (PubChem CID 155704204) has the molecular formula C28H52NiO4 and a molecular weight of 511.41 g/mol. Its IUPAC name is nickel;bis((Z)-tetradec-9-enoic acid).

Molecular Properties

Compound Namenickel;bis((Z)-tetradec-9-enoic acid)
PubChem CID155704204
Molecular FormulaC28H52NiO4
Molecular Weight511.41 g/mol
Exact Mass510.32
IUPAC Namenickel;bis((Z)-tetradec-9-enoic acid)
SMILESCCCC/C=C\CCCCCCCC(=O)O.CCCC/C=C\CCCCCCCC(=O)O.[Ni]
InChIInChI=1S/2C14H26O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*5-6H,2-4,7-13H2,1H3,(H,15,16);/b2*6-5-;
InChIKeyGGYXYGXPYUVSNV-VKRZFSCASA-N
XLogP9.09
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.41
LogP ≤ 59.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-tetradec-9-enoic acid
CID 5312402
(E)-hexadec-11-enoic acid
CID 5312413
(E)-tricos-18-enoic acid
CID 20847589
(E)-nonadec-14-enoic acid
CID 101410255
iron;(Z)-octadec-13-enoic acid
CID 175306655
praseodymium;(Z)-tetradec-9-enoic acid
CID 155169102
erbium;(Z)-tetradec-9-enoic acid
CID 155169208
lanthanum;tris((Z)-tetradec-9-enoic acid)
CID 155704268
dysprosium;tris((Z)-tetradec-9-enoic acid)
CID 155704207
tetradecanoic acid;tetradec-9-enoic acid
CID 162088286
lithium;hydride;tetradec-9-enoic acid
CID 173353076
tetradec-8-enoic acid
CID 54338786

Frequently Asked Questions

What is the IUPAC name of nickel;bis((Z)-tetradec-9-enoic acid)?
The IUPAC name of nickel;bis((Z)-tetradec-9-enoic acid) (CID 155704204) is nickel;bis((Z)-tetradec-9-enoic acid).
What is the SMILES notation for nickel;bis((Z)-tetradec-9-enoic acid)?
The canonical SMILES for nickel;bis((Z)-tetradec-9-enoic acid) is CCCC/C=C\CCCCCCCC(=O)O.CCCC/C=C\CCCCCCCC(=O)O.[Ni].
What is the InChIKey of nickel;bis((Z)-tetradec-9-enoic acid)?
The InChIKey is GGYXYGXPYUVSNV-VKRZFSCASA-N. The full InChI is InChI=1S/2C14H26O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2*5-6H,2-4,7-13H2,1H3,(H,15,16);/b2*6-5-;.
What are the key properties of nickel;bis((Z)-tetradec-9-enoic acid)?
nickel;bis((Z)-tetradec-9-enoic acid) has a molecular weight of 511.41 g/mol, XLogP of 9.09, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;bis((Z)-tetradec-9-enoic acid) is sourced from PubChem (CID 155704204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).