zinc;nonanoate;prop-2-enoate

C12H20O4Zn — CID 161232725

IUPACzinc;nonanoate;prop-2-enoate
SMILESC=CC(=O)[O-].CCCCCCCCC(=O)[O-].[Zn+2]
InChIInChI=1S/C9H18O2.C3H4O2.Zn/c1-2-3-4-5-6-7-8-9(10)11;1-2-3(4)5;/h2-8H2,1H3,(H,10,11);2H,1H2,(H,4,5);/q;;+2/p-2
InChIKeyUYYVWHXUZCYECC-UHFFFAOYSA-L
MW293.68 g/mol
LogP0.41
Rot. Bonds8

About zinc;nonanoate;prop-2-enoate

zinc;nonanoate;prop-2-enoate (PubChem CID 161232725) has the molecular formula C12H20O4Zn and a molecular weight of 293.68 g/mol. Its IUPAC name is zinc;nonanoate;prop-2-enoate.

Molecular Properties

Compound Namezinc;nonanoate;prop-2-enoate
PubChem CID161232725
Molecular FormulaC12H20O4Zn
Molecular Weight293.68 g/mol
Exact Mass292.07
IUPAC Namezinc;nonanoate;prop-2-enoate
SMILESC=CC(=O)[O-].CCCCCCCCC(=O)[O-].[Zn+2]
InChIInChI=1S/C9H18O2.C3H4O2.Zn/c1-2-3-4-5-6-7-8-9(10)11;1-2-3(4)5;/h2-8H2,1H3,(H,10,11);2H,1H2,(H,4,5);/q;;+2/p-2
InChIKeyUYYVWHXUZCYECC-UHFFFAOYSA-L
XLogP0.41
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 50.41
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

copper(1+);octadecanoate;prop-2-enoate
CID 22987501
magnesium;octadecanoate;prop-2-enoate
CID 22987518
dizinc bis(octadecanoate)
CID 21187064
calcium;bis(octadecanoate);prop-1-ene
CID 159463768
aluminum;zinc;pentakis(octadecanoate)
CID 157349852
trizinc;bis(octadecanoate);dicarbonate
CID 173241774
zinc;cobalt(2+);bis(octadecanoate)
CID 159850249
CID 23623890
CID 23623890
octadecanoate
CID 3033836
bis(octadecanoate);platinum(2+)
CID 87233709
aluminum;azanium;zinc;octadecanoate;tetradecanoate
CID 19601869
calcium;zinc;barium(2+);hexakis(octadecanoate)
CID 173338441

Frequently Asked Questions

What is the IUPAC name of zinc;nonanoate;prop-2-enoate?
The IUPAC name of zinc;nonanoate;prop-2-enoate (CID 161232725) is zinc;nonanoate;prop-2-enoate.
What is the SMILES notation for zinc;nonanoate;prop-2-enoate?
The canonical SMILES for zinc;nonanoate;prop-2-enoate is C=CC(=O)[O-].CCCCCCCCC(=O)[O-].[Zn+2].
What is the InChIKey of zinc;nonanoate;prop-2-enoate?
The InChIKey is UYYVWHXUZCYECC-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H18O2.C3H4O2.Zn/c1-2-3-4-5-6-7-8-9(10)11;1-2-3(4)5;/h2-8H2,1H3,(H,10,11);2H,1H2,(H,4,5);/q;;+2/p-2.
What are the key properties of zinc;nonanoate;prop-2-enoate?
zinc;nonanoate;prop-2-enoate has a molecular weight of 293.68 g/mol, XLogP of 0.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;nonanoate;prop-2-enoate is sourced from PubChem (CID 161232725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).