zinc bis(2-tert-butyl-1,1-dimethylcyclopropane)

C18H34Zn — CID 550367

IUPACzinc bis(2-tert-butyl-1,1-dimethylcyclopropane)
SMILESCC(C)(C)C1[CH-]C1(C)C.CC(C)(C)C1[CH-]C1(C)C.[Zn+2]
InChIInChI=1S/2C9H17.Zn/c2*1-8(2,3)7-6-9(7,4)5;/h2*6-7H,1-5H3;/q2*-1;+2
InChIKeyCITJJIINVIFBKB-UHFFFAOYSA-N
MW315.86 g/mol
LogP5.78
Rot. Bonds

About zinc bis(2-tert-butyl-1,1-dimethylcyclopropane)

zinc bis(2-tert-butyl-1,1-dimethylcyclopropane) (PubChem CID 550367) has the molecular formula C18H34Zn and a molecular weight of 315.86 g/mol. Its IUPAC name is zinc bis(2-tert-butyl-1,1-dimethylcyclopropane).

Molecular Properties

Compound Namezinc bis(2-tert-butyl-1,1-dimethylcyclopropane)
PubChem CID550367
Molecular FormulaC18H34Zn
Molecular Weight315.86 g/mol
Exact Mass314.20
IUPAC Namezinc bis(2-tert-butyl-1,1-dimethylcyclopropane)
SMILESCC(C)(C)C1[CH-]C1(C)C.CC(C)(C)C1[CH-]C1(C)C.[Zn+2]
InChIInChI=1S/2C9H17.Zn/c2*1-8(2,3)7-6-9(7,4)5;/h2*6-7H,1-5H3;/q2*-1;+2
InChIKeyCITJJIINVIFBKB-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.86
LogP ≤ 55.78
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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Frequently Asked Questions

What is the IUPAC name of zinc bis(2-tert-butyl-1,1-dimethylcyclopropane)?
The IUPAC name of zinc bis(2-tert-butyl-1,1-dimethylcyclopropane) (CID 550367) is zinc bis(2-tert-butyl-1,1-dimethylcyclopropane).
What is the SMILES notation for zinc bis(2-tert-butyl-1,1-dimethylcyclopropane)?
The canonical SMILES for zinc bis(2-tert-butyl-1,1-dimethylcyclopropane) is CC(C)(C)C1[CH-]C1(C)C.CC(C)(C)C1[CH-]C1(C)C.[Zn+2].
What is the InChIKey of zinc bis(2-tert-butyl-1,1-dimethylcyclopropane)?
The InChIKey is CITJJIINVIFBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17.Zn/c2*1-8(2,3)7-6-9(7,4)5;/h2*6-7H,1-5H3;/q2*-1;+2.
What are the key properties of zinc bis(2-tert-butyl-1,1-dimethylcyclopropane)?
zinc bis(2-tert-butyl-1,1-dimethylcyclopropane) has a molecular weight of 315.86 g/mol, XLogP of 5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-tert-butyl-1,1-dimethylcyclopropane) is sourced from PubChem (CID 550367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).