zinc bis(undec-10-enoate)

C22H38O4Zn — CID 11179

IUPACzinc bis(undec-10-enoate)
SMILESC=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2]
InChIInChI=1S/2C11H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2
InChIKeyYMCOHQVWOBMDCZ-UHFFFAOYSA-L
MW431.93 g/mol
LogP4.08
Rot. Bonds18

About zinc bis(undec-10-enoate)

zinc bis(undec-10-enoate) (PubChem CID 11179) has the molecular formula C22H38O4Zn and a molecular weight of 431.93 g/mol. Its IUPAC name is zinc bis(undec-10-enoate).

Molecular Properties

Compound Namezinc bis(undec-10-enoate)
PubChem CID11179
Molecular FormulaC22H38O4Zn
Molecular Weight431.93 g/mol
Exact Mass430.21
IUPAC Namezinc bis(undec-10-enoate)
SMILESC=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2]
InChIInChI=1S/2C11H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2
InChIKeyYMCOHQVWOBMDCZ-UHFFFAOYSA-L
XLogP4.08
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc bis(undec-10-enoate)?
The IUPAC name of zinc bis(undec-10-enoate) (CID 11179) is zinc bis(undec-10-enoate).
What is the SMILES notation for zinc bis(undec-10-enoate)?
The canonical SMILES for zinc bis(undec-10-enoate) is C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis(undec-10-enoate)?
The InChIKey is YMCOHQVWOBMDCZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2.
What are the key properties of zinc bis(undec-10-enoate)?
zinc bis(undec-10-enoate) has a molecular weight of 431.93 g/mol, XLogP of 4.08, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(undec-10-enoate) is sourced from PubChem (CID 11179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).