magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide

C13H21BrMgO — CID 134897394

IUPACmagnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide
SMILES[Br-].[CH2-]CCCCOCC1CC2C=CC1C2.[Mg+2]
InChIInChI=1S/C13H21O.BrH.Mg/c1-2-3-4-7-14-10-13-9-11-5-6-12(13)8-11;;/h5-6,11-13H,1-4,7-10H2;1H;/q-1;;+2/p-1
InChIKeyRVKKLGJMQLQQNJ-UHFFFAOYSA-M
MW297.52 g/mol
LogP-0.16
Rot. Bonds6

About magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide

magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide (PubChem CID 134897394) has the molecular formula C13H21BrMgO and a molecular weight of 297.52 g/mol. Its IUPAC name is magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide.

Molecular Properties

Compound Namemagnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide
PubChem CID134897394
Molecular FormulaC13H21BrMgO
Molecular Weight297.52 g/mol
Exact Mass296.06
IUPAC Namemagnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide
SMILES[Br-].[CH2-]CCCCOCC1CC2C=CC1C2.[Mg+2]
InChIInChI=1S/C13H21O.BrH.Mg/c1-2-3-4-7-14-10-13-9-11-5-6-12(13)8-11;;/h5-6,11-13H,1-4,7-10H2;1H;/q-1;;+2/p-1
InChIKeyRVKKLGJMQLQQNJ-UHFFFAOYSA-M
XLogP-0.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.52
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 12574061
5,6-Bis(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 15474566
5-(Methoxymethyl)norbornene
CID 18400387
5-(Octaoxymethyl)-2-norbornene
CID 86185185
5-Norbornene-2-methanol ethylene
CID 86640905
5,6-Bis(pentoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 101391568
5-(2,2,3,3,3-Pentafluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813233
5-(3,3,4,4,4-Pentafluorobutoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813239
5-(2,2,2-Trifluoroethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 58813249
5-(Fluoromethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 66601762
5-(3,3,3-Trifluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 71171150
5-(1,1-Difluoropropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 118594255

Frequently Asked Questions

What is the IUPAC name of magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide?
The IUPAC name of magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide (CID 134897394) is magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide.
What is the SMILES notation for magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide?
The canonical SMILES for magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide is [Br-].[CH2-]CCCCOCC1CC2C=CC1C2.[Mg+2].
What is the InChIKey of magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide?
The InChIKey is RVKKLGJMQLQQNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H21O.BrH.Mg/c1-2-3-4-7-14-10-13-9-11-5-6-12(13)8-11;;/h5-6,11-13H,1-4,7-10H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide?
magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide has a molecular weight of 297.52 g/mol, XLogP of -0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide is sourced from PubChem (CID 134897394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).