magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide

C10H19IMgO2 — CID 163204941

IUPACmagnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide
SMILES[CH2-]C/C=C/CCOCOCCC.[I-].[Mg+2]
InChIInChI=1S/C10H19O2.HI.Mg/c1-3-5-6-7-9-12-10-11-8-4-2;;/h5-6H,1,3-4,7-10H2,2H3;1H;/q-1;;+2/p-1/b6-5+;;
InChIKeyYQXJJDXWNOQYRU-TXOOBNKBSA-M
MW322.47 g/mol
LogP-0.82
Rot. Bonds8

About magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide

magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide (PubChem CID 163204941) has the molecular formula C10H19IMgO2 and a molecular weight of 322.47 g/mol. Its IUPAC name is magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide.

Molecular Properties

Compound Namemagnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide
PubChem CID163204941
Molecular FormulaC10H19IMgO2
Molecular Weight322.47 g/mol
Exact Mass322.03
IUPAC Namemagnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide
SMILES[CH2-]C/C=C/CCOCOCCC.[I-].[Mg+2]
InChIInChI=1S/C10H19O2.HI.Mg/c1-3-5-6-7-9-12-10-11-8-4-2;;/h5-6H,1,3-4,7-10H2,2H3;1H;/q-1;;+2/p-1/b6-5+;;
InChIKeyYQXJJDXWNOQYRU-TXOOBNKBSA-M
XLogP-0.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride
CID 163204805
magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide
CID 163204937
lithium 1-(hex-3-enoxymethoxy)heptane
CID 175218624
lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane
CID 163204789
(E)-1-(butoxymethoxy)-6-chlorohex-3-ene
CID 163205166
(E)-6-(ethoxymethoxy)hex-3-en-1-ol
CID 163205159
1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
CID 163205155
1-ethoxyhept-3-ene
CID 547708
10-iodo-1-(octoxymethoxy)dec-3-ene
CID 163205018
14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
CID 164728509

Frequently Asked Questions

What is the IUPAC name of magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide?
The IUPAC name of magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide (CID 163204941) is magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide.
What is the SMILES notation for magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide?
The canonical SMILES for magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide is [CH2-]C/C=C/CCOCOCCC.[I-].[Mg+2].
What is the InChIKey of magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide?
The InChIKey is YQXJJDXWNOQYRU-TXOOBNKBSA-M. The full InChI is InChI=1S/C10H19O2.HI.Mg/c1-3-5-6-7-9-12-10-11-8-4-2;;/h5-6H,1,3-4,7-10H2,2H3;1H;/q-1;;+2/p-1/b6-5+;;.
What are the key properties of magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide?
magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide has a molecular weight of 322.47 g/mol, XLogP of -0.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide is sourced from PubChem (CID 163204941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).