zinc methyl 6-iodohex-2-ynoate

C7H9IO2Zn+2 — CID 18347959

IUPACzinc methyl 6-iodohex-2-ynoate
SMILESCOC(=O)C#CCCCI.[Zn+2]
InChIInChI=1S/C7H9IO2.Zn/c1-10-7(9)5-3-2-4-6-8;/h2,4,6H2,1H3;/q;+2
InChIKeyHMMWTLDXHIPWJG-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.38
Rot. Bonds2

About zinc methyl 6-iodohex-2-ynoate

zinc methyl 6-iodohex-2-ynoate (PubChem CID 18347959) has the molecular formula C7H9IO2Zn+2 and a molecular weight of 317.44 g/mol. Its IUPAC name is zinc methyl 6-iodohex-2-ynoate.

Molecular Properties

Compound Namezinc methyl 6-iodohex-2-ynoate
PubChem CID18347959
Molecular FormulaC7H9IO2Zn+2
Molecular Weight317.44 g/mol
Exact Mass315.89
IUPAC Namezinc methyl 6-iodohex-2-ynoate
SMILESCOC(=O)C#CCCCI.[Zn+2]
InChIInChI=1S/C7H9IO2.Zn/c1-10-7(9)5-3-2-4-6-8;/h2,4,6H2,1H3;/q;+2
InChIKeyHMMWTLDXHIPWJG-UHFFFAOYSA-N
XLogP1.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}

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Related Compounds

dimethyl nona-2,7-diynedioate
CID 11858703
methyl octa-2,7-diynoate
CID 11412468
methyl 7-oxooct-2-ynoate
CID 10352074
methyl undeca-2,10-diynoate
CID 125474899
methyl tetradec-13-en-2,8-diynoate
CID 10944315
methyl 5,5-dimethylhex-2-ynoate
CID 64534957
methyl 4-[4-(4-methoxy-4-oxobut-2-ynoxy)but-2-ynoxy]but-2-ynoate
CID 10967834
methyl hex-2-enoate;methyl oct-2-ynoate
CID 174923116
methyl 7-(benzenesulfonyl)hept-2-ynoate
CID 71392401
methyl 5-piperidin-1-ylpent-2-ynoate
CID 117265692
methyl (7S,9S)-7-hydroxy-9-(methoxymethoxy)dec-2-ynoate
CID 102345308
methyl 7-(4-methylphenyl)sulfonyloxyhept-2-ynoate
CID 122647666

Frequently Asked Questions

What is the IUPAC name of zinc methyl 6-iodohex-2-ynoate?
The IUPAC name of zinc methyl 6-iodohex-2-ynoate (CID 18347959) is zinc methyl 6-iodohex-2-ynoate.
What is the SMILES notation for zinc methyl 6-iodohex-2-ynoate?
The canonical SMILES for zinc methyl 6-iodohex-2-ynoate is COC(=O)C#CCCCI.[Zn+2].
What is the InChIKey of zinc methyl 6-iodohex-2-ynoate?
The InChIKey is HMMWTLDXHIPWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IO2.Zn/c1-10-7(9)5-3-2-4-6-8;/h2,4,6H2,1H3;/q;+2.
What are the key properties of zinc methyl 6-iodohex-2-ynoate?
zinc methyl 6-iodohex-2-ynoate has a molecular weight of 317.44 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc methyl 6-iodohex-2-ynoate is sourced from PubChem (CID 18347959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).