zinc bis(2-methylidenehexanoate)

C14H22O4Zn — CID 122669315

IUPACzinc bis(2-methylidenehexanoate)
SMILESC=C(CCCC)C(=O)[O-].C=C(CCCC)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C7H12O2.Zn/c2*1-3-4-5-6(2)7(8)9;/h2*2-5H2,1H3,(H,8,9);/q;;+2/p-2
InChIKeyGQEYWANHMVOBTF-UHFFFAOYSA-L
MW319.72 g/mol
LogP0.96
Rot. Bonds8

About zinc bis(2-methylidenehexanoate)

zinc bis(2-methylidenehexanoate) (PubChem CID 122669315) has the molecular formula C14H22O4Zn and a molecular weight of 319.72 g/mol. Its IUPAC name is zinc bis(2-methylidenehexanoate).

Molecular Properties

Compound Namezinc bis(2-methylidenehexanoate)
PubChem CID122669315
Molecular FormulaC14H22O4Zn
Molecular Weight319.72 g/mol
Exact Mass318.08
IUPAC Namezinc bis(2-methylidenehexanoate)
SMILESC=C(CCCC)C(=O)[O-].C=C(CCCC)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C7H12O2.Zn/c2*1-3-4-5-6(2)7(8)9;/h2*2-5H2,1H3,(H,8,9);/q;;+2/p-2
InChIKeyGQEYWANHMVOBTF-UHFFFAOYSA-L
XLogP0.96
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

lead(2+);bis(2-methylidenehexanoate)
CID 88789371
(E)-2-methylhex-2-enoate;2-methylidenehexanoate
CID 21275729
2-methylidenehexanoic acid;zinc
CID 174824467
2-methylidenehexanoylazanide;terbium
CID 175783049
ethane;2-methylidenehexanoic acid
CID 162072915
3-methylideneoctan-4-one
CID 11815902
5-(methylamino)-2-methylidenepentanoate
CID 22247059
11-methylidenetricosan-12-one
CID 146586592
3,4-dimethylideneoctan-2-one
CID 143941758
2-methyl-5-methylidenenonan-4-one
CID 71483400
potassium 2-methylidenebutanoate
CID 87611079
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-methylidenehexanoate)?
The IUPAC name of zinc bis(2-methylidenehexanoate) (CID 122669315) is zinc bis(2-methylidenehexanoate).
What is the SMILES notation for zinc bis(2-methylidenehexanoate)?
The canonical SMILES for zinc bis(2-methylidenehexanoate) is C=C(CCCC)C(=O)[O-].C=C(CCCC)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis(2-methylidenehexanoate)?
The InChIKey is GQEYWANHMVOBTF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H12O2.Zn/c2*1-3-4-5-6(2)7(8)9;/h2*2-5H2,1H3,(H,8,9);/q;;+2/p-2.
What are the key properties of zinc bis(2-methylidenehexanoate)?
zinc bis(2-methylidenehexanoate) has a molecular weight of 319.72 g/mol, XLogP of 0.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-methylidenehexanoate) is sourced from PubChem (CID 122669315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).