magnesium;3-methoxypropylbenzene;bromide

C10H13BrMgO — CID 134879838

IUPACmagnesium;3-methoxypropylbenzene;bromide
SMILESCOCCCc1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C10H13O.BrH.Mg/c1-11-9-5-8-10-6-3-2-4-7-10;;/h2-4,6H,5,8-9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCJTSVQYQJJRXJU-UHFFFAOYSA-M
MW253.42 g/mol
LogP-1.31
Rot. Bonds4

About magnesium;3-methoxypropylbenzene;bromide

magnesium;3-methoxypropylbenzene;bromide (PubChem CID 134879838) has the molecular formula C10H13BrMgO and a molecular weight of 253.42 g/mol. Its IUPAC name is magnesium;3-methoxypropylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;3-methoxypropylbenzene;bromide
PubChem CID134879838
Molecular FormulaC10H13BrMgO
Molecular Weight253.42 g/mol
Exact Mass252.00
IUPAC Namemagnesium;3-methoxypropylbenzene;bromide
SMILESCOCCCc1[c-]cccc1.[Br-].[Mg+2]
InChIInChI=1S/C10H13O.BrH.Mg/c1-11-9-5-8-10-6-3-2-4-7-10;;/h2-4,6H,5,8-9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCJTSVQYQJJRXJU-UHFFFAOYSA-M
XLogP-1.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 5-1.31
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'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;3-methoxypropylbenzene;bromide?
The IUPAC name of magnesium;3-methoxypropylbenzene;bromide (CID 134879838) is magnesium;3-methoxypropylbenzene;bromide.
What is the SMILES notation for magnesium;3-methoxypropylbenzene;bromide?
The canonical SMILES for magnesium;3-methoxypropylbenzene;bromide is COCCCc1[c-]cccc1.[Br-].[Mg+2].
What is the InChIKey of magnesium;3-methoxypropylbenzene;bromide?
The InChIKey is CJTSVQYQJJRXJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13O.BrH.Mg/c1-11-9-5-8-10-6-3-2-4-7-10;;/h2-4,6H,5,8-9H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;3-methoxypropylbenzene;bromide?
magnesium;3-methoxypropylbenzene;bromide has a molecular weight of 253.42 g/mol, XLogP of -1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-methoxypropylbenzene;bromide is sourced from PubChem (CID 134879838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).