methyl (Z)-5-iodopent-2-enoate

C6H9IO2 — CID 101257877

IUPACmethyl (Z)-5-iodopent-2-enoate
SMILESCOC(=O)/C=C\CCI
InChIInChI=1S/C6H9IO2/c1-9-6(8)4-2-3-5-7/h2,4H,3,5H2,1H3/b4-2-
InChIKeyLPCUYNIBJJSGBK-RQOWECAXSA-N
MW240.04 g/mol
LogP1.54
Rot. Bonds3

About methyl (Z)-5-iodopent-2-enoate

methyl (Z)-5-iodopent-2-enoate (PubChem CID 101257877) has the molecular formula C6H9IO2 and a molecular weight of 240.04 g/mol. Its IUPAC name is methyl (Z)-5-iodopent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-5-iodopent-2-enoate
PubChem CID101257877
Molecular FormulaC6H9IO2
Molecular Weight240.04 g/mol
Exact Mass239.96
IUPAC Namemethyl (Z)-5-iodopent-2-enoate
SMILESCOC(=O)/C=C\CCI
InChIInChI=1S/C6H9IO2/c1-9-6(8)4-2-3-5-7/h2,4H,3,5H2,1H3/b4-2-
InChIKeyLPCUYNIBJJSGBK-RQOWECAXSA-N
XLogP1.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.04
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-6-oxohex-2-enoate
CID 11804854
ethyl (E)-5-iodopent-2-enoate
CID 88671590
methyl (E)-5-methoxypent-2-enoate
CID 11116178
methyl hex-2-enoate;zinc
CID 173338317
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
2-(5-methoxy-5-oxopent-3-enoxy)acetic acid
CID 139579001
CID 142476100
CID 142476100
methyl (2E)-octadeca-2,17-dienoate
CID 11781391

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-5-iodopent-2-enoate?
The IUPAC name of methyl (Z)-5-iodopent-2-enoate (CID 101257877) is methyl (Z)-5-iodopent-2-enoate.
What is the SMILES notation for methyl (Z)-5-iodopent-2-enoate?
The canonical SMILES for methyl (Z)-5-iodopent-2-enoate is COC(=O)/C=C\CCI.
What is the InChIKey of methyl (Z)-5-iodopent-2-enoate?
The InChIKey is LPCUYNIBJJSGBK-RQOWECAXSA-N. The full InChI is InChI=1S/C6H9IO2/c1-9-6(8)4-2-3-5-7/h2,4H,3,5H2,1H3/b4-2-.
What are the key properties of methyl (Z)-5-iodopent-2-enoate?
methyl (Z)-5-iodopent-2-enoate has a molecular weight of 240.04 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-5-iodopent-2-enoate is sourced from PubChem (CID 101257877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).