magnesium;2-methanidylhexa-1,5-diene;chloride

C7H11ClMg — CID 13072713

IUPACmagnesium;2-methanidylhexa-1,5-diene;chloride
SMILESC=CCCC(=C)[CH2-].[Cl-].[Mg+2]
InChIInChI=1S/C7H11.ClH.Mg/c1-4-5-6-7(2)3;;/h4H,1-3,5-6H2;1H;/q-1;;+2/p-1
InChIKeyMXHGLHAMUJLDTC-UHFFFAOYSA-M
MW154.92 g/mol
LogP-1.03
Rot. Bonds3

About magnesium;2-methanidylhexa-1,5-diene;chloride

magnesium;2-methanidylhexa-1,5-diene;chloride (PubChem CID 13072713) has the molecular formula C7H11ClMg and a molecular weight of 154.92 g/mol. Its IUPAC name is magnesium;2-methanidylhexa-1,5-diene;chloride.

Molecular Properties

Compound Namemagnesium;2-methanidylhexa-1,5-diene;chloride
PubChem CID13072713
Molecular FormulaC7H11ClMg
Molecular Weight154.92 g/mol
Exact Mass154.04
IUPAC Namemagnesium;2-methanidylhexa-1,5-diene;chloride
SMILESC=CCCC(=C)[CH2-].[Cl-].[Mg+2]
InChIInChI=1S/C7H11.ClH.Mg/c1-4-5-6-7(2)3;;/h4H,1-3,5-6H2;1H;/q-1;;+2/p-1
InChIKeyMXHGLHAMUJLDTC-UHFFFAOYSA-M
XLogP-1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.92
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-methanidylhexa-1,5-diene;chloride?
The IUPAC name of magnesium;2-methanidylhexa-1,5-diene;chloride (CID 13072713) is magnesium;2-methanidylhexa-1,5-diene;chloride.
What is the SMILES notation for magnesium;2-methanidylhexa-1,5-diene;chloride?
The canonical SMILES for magnesium;2-methanidylhexa-1,5-diene;chloride is C=CCCC(=C)[CH2-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-methanidylhexa-1,5-diene;chloride?
The InChIKey is MXHGLHAMUJLDTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11.ClH.Mg/c1-4-5-6-7(2)3;;/h4H,1-3,5-6H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-methanidylhexa-1,5-diene;chloride?
magnesium;2-methanidylhexa-1,5-diene;chloride has a molecular weight of 154.92 g/mol, XLogP of -1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-methanidylhexa-1,5-diene;chloride is sourced from PubChem (CID 13072713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).