(E)-1-iodo-3-methoxyprop-1-ene

C4H7IO — CID 11159925

IUPAC(E)-1-iodo-3-methoxyprop-1-ene
SMILESCOC/C=C/I
InChIInChI=1S/C4H7IO/c1-6-4-2-3-5/h2-3H,4H2,1H3/b3-2+
InChIKeyKWFZHOGLANTOTE-NSCUHMNNSA-N
MW198.00 g/mol
LogP1.58
Rot. Bonds2

About (E)-1-iodo-3-methoxyprop-1-ene

(E)-1-iodo-3-methoxyprop-1-ene (PubChem CID 11159925) has the molecular formula C4H7IO and a molecular weight of 198.00 g/mol. Its IUPAC name is (E)-1-iodo-3-methoxyprop-1-ene.

Molecular Properties

Compound Name(E)-1-iodo-3-methoxyprop-1-ene
PubChem CID11159925
Molecular FormulaC4H7IO
Molecular Weight198.00 g/mol
Exact Mass197.95
IUPAC Name(E)-1-iodo-3-methoxyprop-1-ene
SMILESCOC/C=C/I
InChIInChI=1S/C4H7IO/c1-6-4-2-3-5/h2-3H,4H2,1H3/b3-2+
InChIKeyKWFZHOGLANTOTE-NSCUHMNNSA-N
XLogP1.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.00
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-iodo-3-methoxyprop-1-ene?
The IUPAC name of (E)-1-iodo-3-methoxyprop-1-ene (CID 11159925) is (E)-1-iodo-3-methoxyprop-1-ene.
What is the SMILES notation for (E)-1-iodo-3-methoxyprop-1-ene?
The canonical SMILES for (E)-1-iodo-3-methoxyprop-1-ene is COC/C=C/I.
What is the InChIKey of (E)-1-iodo-3-methoxyprop-1-ene?
The InChIKey is KWFZHOGLANTOTE-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H7IO/c1-6-4-2-3-5/h2-3H,4H2,1H3/b3-2+.
What are the key properties of (E)-1-iodo-3-methoxyprop-1-ene?
(E)-1-iodo-3-methoxyprop-1-ene has a molecular weight of 198.00 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-iodo-3-methoxyprop-1-ene is sourced from PubChem (CID 11159925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).