1-chloro-2,2-dimethylpropane;zinc

C5H11ClZn — CID 87488249

IUPAC1-chloro-2,2-dimethylpropane;zinc
SMILESCC(C)(C)CCl.[Zn]
InChIInChI=1S/C5H11Cl.Zn/c1-5(2,3)4-6;/h4H2,1-3H3;
InChIKeyHGRRCZVJRDLOCF-UHFFFAOYSA-N
MW171.99 g/mol
LogP2.27
Rot. Bonds

About 1-chloro-2,2-dimethylpropane;zinc

1-chloro-2,2-dimethylpropane;zinc (PubChem CID 87488249) has the molecular formula C5H11ClZn and a molecular weight of 171.99 g/mol. Its IUPAC name is 1-chloro-2,2-dimethylpropane;zinc.

Molecular Properties

Compound Name1-chloro-2,2-dimethylpropane;zinc
PubChem CID87488249
Molecular FormulaC5H11ClZn
Molecular Weight171.99 g/mol
Exact Mass169.98
IUPAC Name1-chloro-2,2-dimethylpropane;zinc
SMILESCC(C)(C)CCl.[Zn]
InChIInChI=1S/C5H11Cl.Zn/c1-5(2,3)4-6;/h4H2,1-3H3;
InChIKeyHGRRCZVJRDLOCF-UHFFFAOYSA-N
XLogP2.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.99
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,2-dimethylpropane;zinc?
The IUPAC name of 1-chloro-2,2-dimethylpropane;zinc (CID 87488249) is 1-chloro-2,2-dimethylpropane;zinc.
What is the SMILES notation for 1-chloro-2,2-dimethylpropane;zinc?
The canonical SMILES for 1-chloro-2,2-dimethylpropane;zinc is CC(C)(C)CCl.[Zn].
What is the InChIKey of 1-chloro-2,2-dimethylpropane;zinc?
The InChIKey is HGRRCZVJRDLOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl.Zn/c1-5(2,3)4-6;/h4H2,1-3H3;.
What are the key properties of 1-chloro-2,2-dimethylpropane;zinc?
1-chloro-2,2-dimethylpropane;zinc has a molecular weight of 171.99 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,2-dimethylpropane;zinc is sourced from PubChem (CID 87488249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).