magnesium;(4Z,6E)-undeca-4,6-diene;iodide

C11H19IMg — CID 170549986

IUPACmagnesium;(4Z,6E)-undeca-4,6-diene;iodide
SMILES[CH2-]CC/C=C\C=C\CCCC.[I-].[Mg+2]
InChIInChI=1S/C11H19.HI.Mg/c1-3-5-7-9-11-10-8-6-4-2;;/h7,9-11H,1,3-6,8H2,2H3;1H;/q-1;;+2/p-1/b9-7-,11-10+;;
InChIKeyXEAUVCZHROMDLG-QRTWSPRLSA-M
MW302.48 g/mol
LogP0.53
Rot. Bonds6

About magnesium;(4Z,6E)-undeca-4,6-diene;iodide

magnesium;(4Z,6E)-undeca-4,6-diene;iodide (PubChem CID 170549986) has the molecular formula C11H19IMg and a molecular weight of 302.48 g/mol. Its IUPAC name is magnesium;(4Z,6E)-undeca-4,6-diene;iodide.

Molecular Properties

Compound Namemagnesium;(4Z,6E)-undeca-4,6-diene;iodide
PubChem CID170549986
Molecular FormulaC11H19IMg
Molecular Weight302.48 g/mol
Exact Mass302.04
IUPAC Namemagnesium;(4Z,6E)-undeca-4,6-diene;iodide
SMILES[CH2-]CC/C=C\C=C\CCCC.[I-].[Mg+2]
InChIInChI=1S/C11H19.HI.Mg/c1-3-5-7-9-11-10-8-6-4-2;;/h7,9-11H,1,3-6,8H2,2H3;1H;/q-1;;+2/p-1/b9-7-,11-10+;;
InChIKeyXEAUVCZHROMDLG-QRTWSPRLSA-M
XLogP0.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(22E)-heptatetraconta-22,24-diene
CID 56629131
(1E)-octa-1,3-dien-1-ol
CID 154003406
trideca-2,4,6,8-tetraene
CID 54117998
(3E,5E)-deca-3,5-dien-1-ol
CID 118460601
(3Z,5E)-1-chlorodeca-1,3,5-triene
CID 138968587
(5E,7Z)-13-chlorotrideca-5,7-diene
CID 146189533
(5Z,7Z)-dodeca-5,7-dien-1-ol
CID 5365645
(5Z,7Z)-18-chlorooctadeca-5,7-diene
CID 146189522
N,N-bis(octa-1,3-dienyl)octa-1,3-dien-1-amine
CID 54232103
triaconta-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene
CID 91195237

Frequently Asked Questions

What is the IUPAC name of magnesium;(4Z,6E)-undeca-4,6-diene;iodide?
The IUPAC name of magnesium;(4Z,6E)-undeca-4,6-diene;iodide (CID 170549986) is magnesium;(4Z,6E)-undeca-4,6-diene;iodide.
What is the SMILES notation for magnesium;(4Z,6E)-undeca-4,6-diene;iodide?
The canonical SMILES for magnesium;(4Z,6E)-undeca-4,6-diene;iodide is [CH2-]CC/C=C\C=C\CCCC.[I-].[Mg+2].
What is the InChIKey of magnesium;(4Z,6E)-undeca-4,6-diene;iodide?
The InChIKey is XEAUVCZHROMDLG-QRTWSPRLSA-M. The full InChI is InChI=1S/C11H19.HI.Mg/c1-3-5-7-9-11-10-8-6-4-2;;/h7,9-11H,1,3-6,8H2,2H3;1H;/q-1;;+2/p-1/b9-7-,11-10+;;.
What are the key properties of magnesium;(4Z,6E)-undeca-4,6-diene;iodide?
magnesium;(4Z,6E)-undeca-4,6-diene;iodide has a molecular weight of 302.48 g/mol, XLogP of 0.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;(4Z,6E)-undeca-4,6-diene;iodide is sourced from PubChem (CID 170549986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).