magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride

C10H19ClMgO2 — CID 163204805

IUPACmagnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride
SMILES[CH2-]C/C=C\CCOCOCCC.[Cl-].[Mg+2]
InChIInChI=1S/C10H19O2.ClH.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-;;
InChIKeyWGJNJVGPFYTQQE-XNOMRPDFSA-M
MW231.02 g/mol
LogP-0.82
Rot. Bonds8

About magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride

magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride (PubChem CID 163204805) has the molecular formula C10H19ClMgO2 and a molecular weight of 231.02 g/mol. Its IUPAC name is magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride.

Molecular Properties

Compound Namemagnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride
PubChem CID163204805
Molecular FormulaC10H19ClMgO2
Molecular Weight231.02 g/mol
Exact Mass230.09
IUPAC Namemagnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride
SMILES[CH2-]C/C=C\CCOCOCCC.[Cl-].[Mg+2]
InChIInChI=1S/C10H19O2.ClH.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-;;
InChIKeyWGJNJVGPFYTQQE-XNOMRPDFSA-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 ≤ 500231.02
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

magnesium;(E)-1-(propoxymethoxy)hex-3-ene;iodide
CID 163204941
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
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
(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
CID 164728509

Frequently Asked Questions

What is the IUPAC name of magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride?
The IUPAC name of magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride (CID 163204805) is magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride.
What is the SMILES notation for magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride?
The canonical SMILES for magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride is [CH2-]C/C=C\CCOCOCCC.[Cl-].[Mg+2].
What is the InChIKey of magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride?
The InChIKey is WGJNJVGPFYTQQE-XNOMRPDFSA-M. The full InChI is InChI=1S/C10H19O2.ClH.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;(Z)-1-(propoxymethoxy)hex-3-ene;chloride?
magnesium;(Z)-1-(propoxymethoxy)hex-3-ene;chloride has a molecular weight of 231.02 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;(Z)-1-(propoxymethoxy)hex-3-ene;chloride is sourced from PubChem (CID 163204805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).