(Z)-1-iodo-3-(methoxymethoxy)prop-1-ene

C5H9IO2 — CID 10013985

IUPAC(Z)-1-iodo-3-(methoxymethoxy)prop-1-ene
SMILESCOCOC/C=C\I
InChIInChI=1S/C5H9IO2/c1-7-5-8-4-2-3-6/h2-3H,4-5H2,1H3/b3-2-
InChIKeyWAOPQEDNWXARIN-IHWYPQMZSA-N
MW228.03 g/mol
LogP1.56
Rot. Bonds4

About (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene

(Z)-1-iodo-3-(methoxymethoxy)prop-1-ene (PubChem CID 10013985) has the molecular formula C5H9IO2 and a molecular weight of 228.03 g/mol. Its IUPAC name is (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene.

Molecular Properties

Compound Name(Z)-1-iodo-3-(methoxymethoxy)prop-1-ene
PubChem CID10013985
Molecular FormulaC5H9IO2
Molecular Weight228.03 g/mol
Exact Mass227.96
IUPAC Name(Z)-1-iodo-3-(methoxymethoxy)prop-1-ene
SMILESCOCOC/C=C\I
InChIInChI=1S/C5H9IO2/c1-7-5-8-4-2-3-6/h2-3H,4-5H2,1H3/b3-2-
InChIKeyWAOPQEDNWXARIN-IHWYPQMZSA-N
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene?
The IUPAC name of (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene (CID 10013985) is (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene.
What is the SMILES notation for (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene?
The canonical SMILES for (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene is COCOC/C=C\I.
What is the InChIKey of (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene?
The InChIKey is WAOPQEDNWXARIN-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H9IO2/c1-7-5-8-4-2-3-6/h2-3H,4-5H2,1H3/b3-2-.
What are the key properties of (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene?
(Z)-1-iodo-3-(methoxymethoxy)prop-1-ene has a molecular weight of 228.03 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-iodo-3-(methoxymethoxy)prop-1-ene is sourced from PubChem (CID 10013985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).