magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide

C12H23IMgO2 — CID 163204937

IUPACmagnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide
SMILES[CH2-]C/C=C\CCOCOCCCCC.[I-].[Mg+2]
InChIInChI=1S/C12H23O2.HI.Mg/c1-3-5-7-9-11-14-12-13-10-8-6-4-2;;/h5,7H,1,3-4,6,8-12H2,2H3;1H;/q-1;;+2/p-1/b7-5-;;
InChIKeyNTTVBSSOCBXTGS-MWKZNRQPSA-M
MW350.52 g/mol
LogP-0.04
Rot. Bonds10

About magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide

magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide (PubChem CID 163204937) has the molecular formula C12H23IMgO2 and a molecular weight of 350.52 g/mol. Its IUPAC name is magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide.

Molecular Properties

Compound Namemagnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide
PubChem CID163204937
Molecular FormulaC12H23IMgO2
Molecular Weight350.52 g/mol
Exact Mass350.06
IUPAC Namemagnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide
SMILES[CH2-]C/C=C\CCOCOCCCCC.[I-].[Mg+2]
InChIInChI=1S/C12H23O2.HI.Mg/c1-3-5-7-9-11-14-12-13-10-8-6-4-2;;/h5,7H,1,3-4,6,8-12H2,2H3;1H;/q-1;;+2/p-1/b7-5-;;
InChIKeyNTTVBSSOCBXTGS-MWKZNRQPSA-M
XLogP-0.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.52
LogP ≤ 5-0.04
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'}

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Related Compounds

lithium 1-(hex-3-enoxymethoxy)heptane
CID 175218624
lithium 1-[[(Z)-hex-3-enoxy]methoxy]decane
CID 163204789
magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide
CID 163204941
magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride
CID 163204805
1-[[(E)-6-bromohex-3-enoxy]methoxy]decane
CID 163205155
14-iodo-1-(pentoxymethoxy)tetradec-3-ene
CID 163205149
10-iodo-1-(octoxymethoxy)dec-3-ene
CID 163205018
1-(decoxymethoxy)-12-iodododec-3-ene
CID 172551606
12-bromo-1-(heptoxymethoxy)dodec-3-ene
CID 172551604
14-bromo-1-(nonoxymethoxy)tetradec-3-ene
CID 163204951
14-bromo-1-(decoxymethoxy)tetradec-3-ene
CID 163204993
10-bromo-1-(pentoxymethoxy)dec-3-ene
CID 163204735

Frequently Asked Questions

What is the IUPAC name of magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide?
The IUPAC name of magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide (CID 163204937) is magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide.
What is the SMILES notation for magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide?
The canonical SMILES for magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide is [CH2-]C/C=C\CCOCOCCCCC.[I-].[Mg+2].
What is the InChIKey of magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide?
The InChIKey is NTTVBSSOCBXTGS-MWKZNRQPSA-M. The full InChI is InChI=1S/C12H23O2.HI.Mg/c1-3-5-7-9-11-14-12-13-10-8-6-4-2;;/h5,7H,1,3-4,6,8-12H2,2H3;1H;/q-1;;+2/p-1/b7-5-;;.
What are the key properties of magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide?
magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide has a molecular weight of 350.52 g/mol, XLogP of -0.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(Z)-1-(pentoxymethoxy)hex-3-ene;iodide is sourced from PubChem (CID 163204937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).