zinc;2-methanidyl-1,4-dimethylbenzene;chloride

C9H11ClZn — CID 53471419

IUPACzinc;2-methanidyl-1,4-dimethylbenzene;chloride
SMILES[CH2-]c1cc(C)ccc1C.[Cl-].[Zn+2]
InChIInChI=1S/C9H11.ClH.Zn/c1-7-4-5-8(2)9(3)6-7;;/h4-6H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRPWOUKUSRSWDPQ-UHFFFAOYSA-M
MW220.03 g/mol
LogP-0.51
Rot. Bonds

About zinc;2-methanidyl-1,4-dimethylbenzene;chloride

zinc;2-methanidyl-1,4-dimethylbenzene;chloride (PubChem CID 53471419) has the molecular formula C9H11ClZn and a molecular weight of 220.03 g/mol. Its IUPAC name is zinc;2-methanidyl-1,4-dimethylbenzene;chloride.

Molecular Properties

Compound Namezinc;2-methanidyl-1,4-dimethylbenzene;chloride
PubChem CID53471419
Molecular FormulaC9H11ClZn
Molecular Weight220.03 g/mol
Exact Mass217.98
IUPAC Namezinc;2-methanidyl-1,4-dimethylbenzene;chloride
SMILES[CH2-]c1cc(C)ccc1C.[Cl-].[Zn+2]
InChIInChI=1S/C9H11.ClH.Zn/c1-7-4-5-8(2)9(3)6-7;;/h4-6H,3H2,1-2H3;1H;/q-1;;+2/p-1
InChIKeyRPWOUKUSRSWDPQ-UHFFFAOYSA-M
XLogP-0.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

magnesium;2-methanidyl-1,4-dimethylbenzene;chloride
CID 12860825
1,2,4-trimethylbenzene
CID 7247
(Z)-1,2-bis(2,5-dimethylphenyl)ethene-1,2-diol
CID 126634568
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
carbanide;2-fluoro-1,4-dimethylbenzene;bis(1,4-xylene);yttrium
CID 159178199
tris(2,5-dimethylphenyl)alumane
CID 173265347
formonitrile;1,2,4-trimethylbenzene
CID 90728107
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
2,5-dimethylphenol;4-methylphenol
CID 67649093
(2,4-dimethylphenyl)-trifluoro-λ4-sulfane;ethane
CID 143617729
2,5-dimethylbenzenediazonium chloride
CID 12583461
2,5-dimethylphenol;ethane
CID 143419778

Frequently Asked Questions

What is the IUPAC name of zinc;2-methanidyl-1,4-dimethylbenzene;chloride?
The IUPAC name of zinc;2-methanidyl-1,4-dimethylbenzene;chloride (CID 53471419) is zinc;2-methanidyl-1,4-dimethylbenzene;chloride.
What is the SMILES notation for zinc;2-methanidyl-1,4-dimethylbenzene;chloride?
The canonical SMILES for zinc;2-methanidyl-1,4-dimethylbenzene;chloride is [CH2-]c1cc(C)ccc1C.[Cl-].[Zn+2].
What is the InChIKey of zinc;2-methanidyl-1,4-dimethylbenzene;chloride?
The InChIKey is RPWOUKUSRSWDPQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11.ClH.Zn/c1-7-4-5-8(2)9(3)6-7;;/h4-6H,3H2,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;2-methanidyl-1,4-dimethylbenzene;chloride?
zinc;2-methanidyl-1,4-dimethylbenzene;chloride has a molecular weight of 220.03 g/mol, XLogP of -0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-methanidyl-1,4-dimethylbenzene;chloride is sourced from PubChem (CID 53471419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).