magnesium;1-ethyl-4-heptylbenzene;bromide

C15H23BrMg — CID 156847228

IUPACmagnesium;1-ethyl-4-heptylbenzene;bromide
SMILES[Br-].[CH2-]Cc1ccc(CCCCCCC)cc1.[Mg+2]
InChIInChI=1S/C15H23.BrH.Mg/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15;;/h10-13H,2-9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyUGZYRVXTUPQQQH-UHFFFAOYSA-M
MW307.56 g/mol
LogP1.20
Rot. Bonds7

About magnesium;1-ethyl-4-heptylbenzene;bromide

magnesium;1-ethyl-4-heptylbenzene;bromide (PubChem CID 156847228) has the molecular formula C15H23BrMg and a molecular weight of 307.56 g/mol. Its IUPAC name is magnesium;1-ethyl-4-heptylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;1-ethyl-4-heptylbenzene;bromide
PubChem CID156847228
Molecular FormulaC15H23BrMg
Molecular Weight307.56 g/mol
Exact Mass306.08
IUPAC Namemagnesium;1-ethyl-4-heptylbenzene;bromide
SMILES[Br-].[CH2-]Cc1ccc(CCCCCCC)cc1.[Mg+2]
InChIInChI=1S/C15H23.BrH.Mg/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15;;/h10-13H,2-9H2,1H3;1H;/q-1;;+2/p-1
InChIKeyUGZYRVXTUPQQQH-UHFFFAOYSA-M
XLogP1.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.56
LogP ≤ 51.20
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'}

Analyze magnesium;1-ethyl-4-heptylbenzene;bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-4-nonylbenzene
CID 59545302
magnesium;ethane;heptylbenzene;bromide
CID 175337230
4-dodecylaniline;nonadecane
CID 155059812
4-hexadecylaniline
CID 571906
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-methyl-4-octylbenzene
CID 11052746
(4-decylphenyl)-trimethylsilane
CID 69331769
4-[2-(4-pentylphenyl)ethyl]aniline
CID 130451163
1-(2-bromoethyl)-4-decylbenzene
CID 70453406
(4-undecylphenyl)methanethiol
CID 152658546
1-bromo-4-dodecylbenzene
CID 15120506

Frequently Asked Questions

What is the IUPAC name of magnesium;1-ethyl-4-heptylbenzene;bromide?
The IUPAC name of magnesium;1-ethyl-4-heptylbenzene;bromide (CID 156847228) is magnesium;1-ethyl-4-heptylbenzene;bromide.
What is the SMILES notation for magnesium;1-ethyl-4-heptylbenzene;bromide?
The canonical SMILES for magnesium;1-ethyl-4-heptylbenzene;bromide is [Br-].[CH2-]Cc1ccc(CCCCCCC)cc1.[Mg+2].
What is the InChIKey of magnesium;1-ethyl-4-heptylbenzene;bromide?
The InChIKey is UGZYRVXTUPQQQH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H23.BrH.Mg/c1-3-5-6-7-8-9-15-12-10-14(4-2)11-13-15;;/h10-13H,2-9H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-ethyl-4-heptylbenzene;bromide?
magnesium;1-ethyl-4-heptylbenzene;bromide has a molecular weight of 307.56 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-ethyl-4-heptylbenzene;bromide is sourced from PubChem (CID 156847228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).