methyl hex-2-enoate;zinc

C7H11O2Zn- — CID 173338317

IUPACmethyl hex-2-enoate;zinc
SMILES[CH2-]CCC=CC(=O)OC.[Zn]
InChIInChI=1S/C7H11O2.Zn/c1-3-4-5-6-7(8)9-2;/h5-6H,1,3-4H2,2H3;/q-1;
InChIKeyIVJDENPZQDHUTE-UHFFFAOYSA-N
MW192.55 g/mol
LogP1.33
Rot. Bonds3

About methyl hex-2-enoate;zinc

methyl hex-2-enoate;zinc (PubChem CID 173338317) has the molecular formula C7H11O2Zn- and a molecular weight of 192.55 g/mol. Its IUPAC name is methyl hex-2-enoate;zinc.

Molecular Properties

Compound Namemethyl hex-2-enoate;zinc
PubChem CID173338317
Molecular FormulaC7H11O2Zn-
Molecular Weight192.55 g/mol
Exact Mass191.01
IUPAC Namemethyl hex-2-enoate;zinc
SMILES[CH2-]CCC=CC(=O)OC.[Zn]
InChIInChI=1S/C7H11O2.Zn/c1-3-4-5-6-7(8)9-2;/h5-6H,1,3-4H2,2H3;/q-1;
InChIKeyIVJDENPZQDHUTE-UHFFFAOYSA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.55
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-5-methoxypent-2-enoate
CID 11116178
methyl (E)-6-oxohex-2-enoate
CID 11804854
methyl (Z)-5-iodopent-2-enoate
CID 101257877
methyl (E)-hept-2-enoate
CID 5368087
methyl 6-oxohept-2-enoate
CID 71404113
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
methyl (Z)-5-(dimethylamino)pent-2-enoate
CID 117272420
methyl (Z)-6-chlorohex-2-enoate
CID 12741273
CID 142476100
CID 142476100
methyl (2E)-octadeca-2,17-dienoate
CID 11781391
methyl (2E,8E)-undeca-2,8-dienoate
CID 102118335
dimethyl (2E,6E)-3-methylocta-2,6-dienedioate
CID 15749232

Frequently Asked Questions

What is the IUPAC name of methyl hex-2-enoate;zinc?
The IUPAC name of methyl hex-2-enoate;zinc (CID 173338317) is methyl hex-2-enoate;zinc.
What is the SMILES notation for methyl hex-2-enoate;zinc?
The canonical SMILES for methyl hex-2-enoate;zinc is [CH2-]CCC=CC(=O)OC.[Zn].
What is the InChIKey of methyl hex-2-enoate;zinc?
The InChIKey is IVJDENPZQDHUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O2.Zn/c1-3-4-5-6-7(8)9-2;/h5-6H,1,3-4H2,2H3;/q-1;.
What are the key properties of methyl hex-2-enoate;zinc?
methyl hex-2-enoate;zinc has a molecular weight of 192.55 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hex-2-enoate;zinc is sourced from PubChem (CID 173338317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).