magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide

C14H23BrMgO4 — CID 134879430

IUPACmagnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide
SMILES[Br-].[H]/[C-]=C\C[C@@H](OCOC)C1(CC/C=C/C)OCCO1.[Mg+2]
InChIInChI=1S/C14H23O4.BrH.Mg/c1-4-6-7-9-14(17-10-11-18-14)13(8-5-2)16-12-15-3;;/h2,4-6,13H,7-12H2,1,3H3;1H;/q-1;;+2/p-1/b6-4+;;/t13-;;/m1../s1
InChIKeyVBNJLDDFYHQYAC-IVDKYLHFSA-M
MW359.54 g/mol
LogP-0.92
Rot. Bonds9

About magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide

magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide (PubChem CID 134879430) has the molecular formula C14H23BrMgO4 and a molecular weight of 359.54 g/mol. Its IUPAC name is magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide.

Molecular Properties

Compound Namemagnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide
PubChem CID134879430
Molecular FormulaC14H23BrMgO4
Molecular Weight359.54 g/mol
Exact Mass358.06
IUPAC Namemagnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide
SMILES[Br-].[H]/[C-]=C\C[C@@H](OCOC)C1(CC/C=C/C)OCCO1.[Mg+2]
InChIInChI=1S/C14H23O4.BrH.Mg/c1-4-6-7-9-14(17-10-11-18-14)13(8-5-2)16-12-15-3;;/h2,4-6,13H,7-12H2,1,3H3;1H;/q-1;;+2/p-1/b6-4+;;/t13-;;/m1../s1
InChIKeyVBNJLDDFYHQYAC-IVDKYLHFSA-M
XLogP-0.92
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide?
The IUPAC name of magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide (CID 134879430) is magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide.
What is the SMILES notation for magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide?
The canonical SMILES for magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide is [Br-].[H]/[C-]=C\C[C@@H](OCOC)C1(CC/C=C/C)OCCO1.[Mg+2].
What is the InChIKey of magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide?
The InChIKey is VBNJLDDFYHQYAC-IVDKYLHFSA-M. The full InChI is InChI=1S/C14H23O4.BrH.Mg/c1-4-6-7-9-14(17-10-11-18-14)13(8-5-2)16-12-15-3;;/h2,4-6,13H,7-12H2,1,3H3;1H;/q-1;;+2/p-1/b6-4+;;/t13-;;/m1../s1.
What are the key properties of magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide?
magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide has a molecular weight of 359.54 g/mol, XLogP of -0.92, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-[(1R)-1-(methoxymethoxy)but-3-enyl]-2-[(E)-pent-3-enyl]-1,3-dioxolane;bromide is sourced from PubChem (CID 134879430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).