(Z)-3-iodo-4-methoxybut-2-enoic acid

C5H7IO3 — CID 11060484

IUPAC(Z)-3-iodo-4-methoxybut-2-enoic acid
SMILESCOC/C(I)=C/C(=O)O
InChIInChI=1S/C5H7IO3/c1-9-3-4(6)2-5(7)8/h2H,3H2,1H3,(H,7,8)/b4-2-
InChIKeyVDMIIQVFQFIEMD-RQOWECAXSA-N
MW242.01 g/mol
LogP1.04
Rot. Bonds3

About (Z)-3-iodo-4-methoxybut-2-enoic acid

(Z)-3-iodo-4-methoxybut-2-enoic acid (PubChem CID 11060484) has the molecular formula C5H7IO3 and a molecular weight of 242.01 g/mol. Its IUPAC name is (Z)-3-iodo-4-methoxybut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-iodo-4-methoxybut-2-enoic acid
PubChem CID11060484
Molecular FormulaC5H7IO3
Molecular Weight242.01 g/mol
Exact Mass241.94
IUPAC Name(Z)-3-iodo-4-methoxybut-2-enoic acid
SMILESCOC/C(I)=C/C(=O)O
InChIInChI=1S/C5H7IO3/c1-9-3-4(6)2-5(7)8/h2H,3H2,1H3,(H,7,8)/b4-2-
InChIKeyVDMIIQVFQFIEMD-RQOWECAXSA-N
XLogP1.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.01
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-iodopent-2-enoic acid
CID 15420267
(2Z)-3-(methoxymethyl)-5-methylhexa-2,4-dienoic acid
CID 101175528
tributylstannyl (Z)-3-iodo-4-methoxybut-2-enoate
CID 16688054
2-methoxyacetic acid;oxaldehydic acid
CID 159112040
3-methoxypent-2-enedioic acid
CID 86011063
(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid
CID 63775244
2-methoxyacetic acid;titanium
CID 174298740
2-methoxyacetic acid;silver
CID 158784523
(E)-5-methoxy-4-methylpent-3-en-2-one
CID 24973969
2,3-bis(methoxymethyl)but-2-enedioic acid
CID 154153202
2-methoxyacetic acid;oxalic acid
CID 162328994
(Z)-2-[(2-methylpropan-2-yl)oxymethyl]but-2-enedioic acid
CID 150717548

Frequently Asked Questions

What is the IUPAC name of (Z)-3-iodo-4-methoxybut-2-enoic acid?
The IUPAC name of (Z)-3-iodo-4-methoxybut-2-enoic acid (CID 11060484) is (Z)-3-iodo-4-methoxybut-2-enoic acid.
What is the SMILES notation for (Z)-3-iodo-4-methoxybut-2-enoic acid?
The canonical SMILES for (Z)-3-iodo-4-methoxybut-2-enoic acid is COC/C(I)=C/C(=O)O.
What is the InChIKey of (Z)-3-iodo-4-methoxybut-2-enoic acid?
The InChIKey is VDMIIQVFQFIEMD-RQOWECAXSA-N. The full InChI is InChI=1S/C5H7IO3/c1-9-3-4(6)2-5(7)8/h2H,3H2,1H3,(H,7,8)/b4-2-.
What are the key properties of (Z)-3-iodo-4-methoxybut-2-enoic acid?
(Z)-3-iodo-4-methoxybut-2-enoic acid has a molecular weight of 242.01 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-iodo-4-methoxybut-2-enoic acid is sourced from PubChem (CID 11060484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).