(E)-1-iodo-2-methoxyethene

C3H5IO — CID 140517862

IUPAC(E)-1-iodo-2-methoxyethene
SMILESCO/C=C/I
InChIInChI=1S/C3H5IO/c1-5-3-2-4/h2-3H,1H3/b3-2+
InChIKeyAQKTYDPXSXJWOK-NSCUHMNNSA-N
MW183.98 g/mol
LogP1.54
Rot. Bonds1

About (E)-1-iodo-2-methoxyethene

(E)-1-iodo-2-methoxyethene (PubChem CID 140517862) has the molecular formula C3H5IO and a molecular weight of 183.98 g/mol. Its IUPAC name is (E)-1-iodo-2-methoxyethene.

Molecular Properties

Compound Name(E)-1-iodo-2-methoxyethene
PubChem CID140517862
Molecular FormulaC3H5IO
Molecular Weight183.98 g/mol
Exact Mass183.94
IUPAC Name(E)-1-iodo-2-methoxyethene
SMILESCO/C=C/I
InChIInChI=1S/C3H5IO/c1-5-3-2-4/h2-3H,1H3/b3-2+
InChIKeyAQKTYDPXSXJWOK-NSCUHMNNSA-N
XLogP1.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.98
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,8-dimethoxyocta-1,3,5,7-tetraene
CID 163444931
1-iodo-2-(2-iodoethenoxy)ethene
CID 141049765
2-methoxyethenamine
CID 154070351
but-2-ene;1-methoxyprop-1-ene
CID 91394801
1-(2-iodoethenoxy)propane
CID 141099280
sodium;hydride;3-methoxyprop-2-enoic acid
CID 175287980
5-methoxypenta-2,4-dienoic acid
CID 54531073
(1E,3E)-4-methoxy-1-[(1Z,3E)-4-methoxy-2-methylbuta-1,3-dienoxy]-2-methylbuta-1,3-diene
CID 101010584
ethane;(1Z)-1-methoxybuta-1,3-diene
CID 143380385
(Z)-1-methoxybut-1-ene
CID 5366227
(Z)-2-methoxy-N-methylethenamine
CID 59786651
benzene;1-methoxyprop-1-ene
CID 158604607

Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-2-methoxyethene?
The IUPAC name of (E)-1-iodo-2-methoxyethene (CID 140517862) is (E)-1-iodo-2-methoxyethene.
What is the SMILES notation for (E)-1-iodo-2-methoxyethene?
The canonical SMILES for (E)-1-iodo-2-methoxyethene is CO/C=C/I.
What is the InChIKey of (E)-1-iodo-2-methoxyethene?
The InChIKey is AQKTYDPXSXJWOK-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H5IO/c1-5-3-2-4/h2-3H,1H3/b3-2+.
What are the key properties of (E)-1-iodo-2-methoxyethene?
(E)-1-iodo-2-methoxyethene has a molecular weight of 183.98 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-2-methoxyethene is sourced from PubChem (CID 140517862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).