ethyl (Z)-4-iodo-3-methoxybut-2-enoate

C7H11IO3 — CID 5370550

IUPACethyl (Z)-4-iodo-3-methoxybut-2-enoate
SMILESCCOC(=O)/C=C(/CI)OC
InChIInChI=1S/C7H11IO3/c1-3-11-7(9)4-6(5-8)10-2/h4H,3,5H2,1-2H3/b6-4-
InChIKeyGHMKNWIXBKZEJP-XQRVVYSFSA-N
MW270.07 g/mol
LogP1.51
Rot. Bonds4

About ethyl (Z)-4-iodo-3-methoxybut-2-enoate

ethyl (Z)-4-iodo-3-methoxybut-2-enoate (PubChem CID 5370550) has the molecular formula C7H11IO3 and a molecular weight of 270.07 g/mol. Its IUPAC name is ethyl (Z)-4-iodo-3-methoxybut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-iodo-3-methoxybut-2-enoate
PubChem CID5370550
Molecular FormulaC7H11IO3
Molecular Weight270.07 g/mol
Exact Mass269.98
IUPAC Nameethyl (Z)-4-iodo-3-methoxybut-2-enoate
SMILESCCOC(=O)/C=C(/CI)OC
InChIInChI=1S/C7H11IO3/c1-3-11-7(9)4-6(5-8)10-2/h4H,3,5H2,1-2H3/b6-4-
InChIKeyGHMKNWIXBKZEJP-XQRVVYSFSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

ethyl 3-methoxy-5-methylhex-2-enoate
CID 54510304
4-O-ethyl 1-O-methyl (E)-2-methylbut-2-enedioate
CID 15441035
ethyl (Z)-4,4,4-trifluoro-3-iodobut-2-enoate
CID 10870101
ethyl 3-amino-3-(hydroxyamino)prop-2-enoate
CID 170922879
4-O-ethyl 1-O-methyl (E)-2-ethylbut-2-enedioate
CID 15881677
ethyl 3-hydroxybut-2-enoate
CID 54692957
ethyl 3,4-diamino-4-oxobut-2-enoate
CID 73191610
CID 152581137
CID 152581137
ethyl 3-pentyloct-2-enoate
CID 13147032
ethyl (Z)-3-amino-4-methoxybut-2-enoate
CID 45122131
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl 3-ethoxyhept-2-en-6-ynoate
CID 54362934

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-iodo-3-methoxybut-2-enoate?
The IUPAC name of ethyl (Z)-4-iodo-3-methoxybut-2-enoate (CID 5370550) is ethyl (Z)-4-iodo-3-methoxybut-2-enoate.
What is the SMILES notation for ethyl (Z)-4-iodo-3-methoxybut-2-enoate?
The canonical SMILES for ethyl (Z)-4-iodo-3-methoxybut-2-enoate is CCOC(=O)/C=C(/CI)OC.
What is the InChIKey of ethyl (Z)-4-iodo-3-methoxybut-2-enoate?
The InChIKey is GHMKNWIXBKZEJP-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H11IO3/c1-3-11-7(9)4-6(5-8)10-2/h4H,3,5H2,1-2H3/b6-4-.
What are the key properties of ethyl (Z)-4-iodo-3-methoxybut-2-enoate?
ethyl (Z)-4-iodo-3-methoxybut-2-enoate has a molecular weight of 270.07 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-iodo-3-methoxybut-2-enoate is sourced from PubChem (CID 5370550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).