zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane)

C20H34Zn — CID 565682

IUPACzinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane)
SMILESC=CC(C)(C)C1[CH-]C1(C)C.C=CC(C)(C)C1[CH-]C1(C)C.[Zn+2]
InChIInChI=1S/2C10H17.Zn/c2*1-6-9(2,3)8-7-10(8,4)5;/h2*6-8H,1H2,2-5H3;/q2*-1;+2
InChIKeyUAFTZZZULMIFMM-UHFFFAOYSA-N
MW339.88 g/mol
LogP6.12
Rot. Bonds4

About zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane)

zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane) (PubChem CID 565682) has the molecular formula C20H34Zn and a molecular weight of 339.88 g/mol. Its IUPAC name is zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane).

Molecular Properties

Compound Namezinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane)
PubChem CID565682
Molecular FormulaC20H34Zn
Molecular Weight339.88 g/mol
Exact Mass338.20
IUPAC Namezinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane)
SMILESC=CC(C)(C)C1[CH-]C1(C)C.C=CC(C)(C)C1[CH-]C1(C)C.[Zn+2]
InChIInChI=1S/2C10H17.Zn/c2*1-6-9(2,3)8-7-10(8,4)5;/h2*6-8H,1H2,2-5H3;/q2*-1;+2
InChIKeyUAFTZZZULMIFMM-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.88
LogP ≤ 56.12
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane)?
The IUPAC name of zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane) (CID 565682) is zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane).
What is the SMILES notation for zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane)?
The canonical SMILES for zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane) is C=CC(C)(C)C1[CH-]C1(C)C.C=CC(C)(C)C1[CH-]C1(C)C.[Zn+2].
What is the InChIKey of zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane)?
The InChIKey is UAFTZZZULMIFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17.Zn/c2*1-6-9(2,3)8-7-10(8,4)5;/h2*6-8H,1H2,2-5H3;/q2*-1;+2.
What are the key properties of zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane)?
zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane) has a molecular weight of 339.88 g/mol, XLogP of 6.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(1,1-dimethyl-2-(2-methylbut-3-en-2-yl)cyclopropane) is sourced from PubChem (CID 565682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).