magnesium;propan-2-ylbenzene;chloride

C9H11ClMg — CID 14168514

IUPACmagnesium;propan-2-ylbenzene;chloride
SMILESC[C-](C)c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C9H11.ClH.Mg/c1-8(2)9-6-4-3-5-7-9;;/h3-7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRZEVZUMMVASSDY-UHFFFAOYSA-M
MW178.95 g/mol
LogP-0.73
Rot. Bonds1

About magnesium;propan-2-ylbenzene;chloride

magnesium;propan-2-ylbenzene;chloride (PubChem CID 14168514) has the molecular formula C9H11ClMg and a molecular weight of 178.95 g/mol. Its IUPAC name is magnesium;propan-2-ylbenzene;chloride.

Molecular Properties

Compound Namemagnesium;propan-2-ylbenzene;chloride
PubChem CID14168514
Molecular FormulaC9H11ClMg
Molecular Weight178.95 g/mol
Exact Mass178.04
IUPAC Namemagnesium;propan-2-ylbenzene;chloride
SMILESC[C-](C)c1ccccc1.[Cl-].[Mg+2]
InChIInChI=1S/C9H11.ClH.Mg/c1-8(2)9-6-4-3-5-7-9;;/h3-7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRZEVZUMMVASSDY-UHFFFAOYSA-M
XLogP-0.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.95
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 141332066
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CID 59898296
tetrakis(diphenylmethylbenzene);palladium
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2-phenylpropanoic acid;rubidium(1+)
CID 173488254
dilithium;diphenylmethylbenzene;hydride
CID 173115041
sodium;1-phenylethylbenzene;sulfuric acid
CID 175416175
dimethoxymethylbenzene;titanium
CID 87292758
benzene;benzene;ethane;naphthalene;yttrium
CID 158762188
1-chloro-N,N-dimethyl-1-phenylmethanamine
CID 134900800
lithium 1-(benzenesulfonyl)ethylbenzene
CID 11470743
toluene;hydrate
CID 22272177

Frequently Asked Questions

What is the IUPAC name of magnesium;propan-2-ylbenzene;chloride?
The IUPAC name of magnesium;propan-2-ylbenzene;chloride (CID 14168514) is magnesium;propan-2-ylbenzene;chloride.
What is the SMILES notation for magnesium;propan-2-ylbenzene;chloride?
The canonical SMILES for magnesium;propan-2-ylbenzene;chloride is C[C-](C)c1ccccc1.[Cl-].[Mg+2].
What is the InChIKey of magnesium;propan-2-ylbenzene;chloride?
The InChIKey is RZEVZUMMVASSDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11.ClH.Mg/c1-8(2)9-6-4-3-5-7-9;;/h3-7H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;propan-2-ylbenzene;chloride?
magnesium;propan-2-ylbenzene;chloride has a molecular weight of 178.95 g/mol, XLogP of -0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;propan-2-ylbenzene;chloride is sourced from PubChem (CID 14168514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).