magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide

C14H26Br2MgO5 — CID 159685798

IUPACmagnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide
SMILESBrCCC1OCCO1.C1CCOC1.[Br-].[CH2-]CC1OCCO1.[Mg+2]
InChIInChI=1S/C5H9BrO2.C5H9O2.C4H8O.BrH.Mg/c6-2-1-5-7-3-4-8-5;1-2-5-6-3-4-7-5;1-2-4-5-3-1;;/h5H,1-4H2;5H,1-4H2;1-4H2;1H;/q;-1;;;+2/p-1
InChIKeyQNVPGRVCXRVNHO-UHFFFAOYSA-M
MW458.47 g/mol
LogP-0.85
Rot. Bonds3

About magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide

magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide (PubChem CID 159685798) has the molecular formula C14H26Br2MgO5 and a molecular weight of 458.47 g/mol. Its IUPAC name is magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide.

Molecular Properties

Compound Namemagnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide
PubChem CID159685798
Molecular FormulaC14H26Br2MgO5
Molecular Weight458.47 g/mol
Exact Mass456.00
IUPAC Namemagnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide
SMILESBrCCC1OCCO1.C1CCOC1.[Br-].[CH2-]CC1OCCO1.[Mg+2]
InChIInChI=1S/C5H9BrO2.C5H9O2.C4H8O.BrH.Mg/c6-2-1-5-7-3-4-8-5;1-2-5-6-3-4-7-5;1-2-4-5-3-1;;/h5H,1-4H2;5H,1-4H2;1-4H2;1H;/q;-1;;;+2/p-1
InChIKeyQNVPGRVCXRVNHO-UHFFFAOYSA-M
XLogP-0.85
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoethyl)-1,3-dioxane;pentane
CID 174799971
magnesium;2-ethyl-1,5-dioxocane;bromide
CID 23522002
dimagnesium;bromoethane;ethane;hydride;oxolane;bromide
CID 159570648
2-(3-bromobut-3-enyl)-1,3-dioxolane
CID 552140
2-[2-(1,3-dioxolan-2-yl)ethyl]-1,3-dioxane
CID 91071611
magnesium;butane;oxolane;bromide
CID 131730062
magnesium;ethane;hydron;oxolane;bromide
CID 174967125
2-(3-bromopropyl)-1,3-dioxolane;2-butyl-1,3-dioxolane
CID 169430441
carbanide;oxolane;pentane;platinum
CID 20603131
molecular bromine;oxolane
CID 86660775
2-(bromomethyl)-1,3-dioxolane;phosphane
CID 146464767
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide?
The IUPAC name of magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide (CID 159685798) is magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide.
What is the SMILES notation for magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide?
The canonical SMILES for magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide is BrCCC1OCCO1.C1CCOC1.[Br-].[CH2-]CC1OCCO1.[Mg+2].
What is the InChIKey of magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide?
The InChIKey is QNVPGRVCXRVNHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9BrO2.C5H9O2.C4H8O.BrH.Mg/c6-2-1-5-7-3-4-8-5;1-2-5-6-3-4-7-5;1-2-4-5-3-1;;/h5H,1-4H2;5H,1-4H2;1-4H2;1H;/q;-1;;;+2/p-1.
What are the key properties of magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide?
magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide has a molecular weight of 458.47 g/mol, XLogP of -0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-(2-bromoethyl)-1,3-dioxolane;2-ethyl-1,3-dioxolane;oxolane;bromide is sourced from PubChem (CID 159685798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).