zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane

C18H30Zn — CID 12868464

IUPACzinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane
SMILESC=C(C)C[C@@H]1[CH-]C1(C)C.C=C(C)C[C@H]1[CH-]C1(C)C.[Zn+2]
InChIInChI=1S/2C9H15.Zn/c2*1-7(2)5-8-6-9(8,3)4;/h2*6,8H,1,5H2,2-4H3;/q2*-1;+2/t2*8-;/m10./s1
InChIKeyCCKXCTGUGNOXFZ-DCBBVGBMSA-N
MW311.83 g/mol
LogP5.62
Rot. Bonds4

About zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane

zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane (PubChem CID 12868464) has the molecular formula C18H30Zn and a molecular weight of 311.83 g/mol. Its IUPAC name is zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane.

Molecular Properties

Compound Namezinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane
PubChem CID12868464
Molecular FormulaC18H30Zn
Molecular Weight311.83 g/mol
Exact Mass310.16
IUPAC Namezinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane
SMILESC=C(C)C[C@@H]1[CH-]C1(C)C.C=C(C)C[C@H]1[CH-]C1(C)C.[Zn+2]
InChIInChI=1S/2C9H15.Zn/c2*1-7(2)5-8-6-9(8,3)4;/h2*6,8H,1,5H2,2-4H3;/q2*-1;+2/t2*8-;/m10./s1
InChIKeyCCKXCTGUGNOXFZ-DCBBVGBMSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.83
LogP ≤ 55.62
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;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane?
The IUPAC name of zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane (CID 12868464) is zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane.
What is the SMILES notation for zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane?
The canonical SMILES for zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane is C=C(C)C[C@@H]1[CH-]C1(C)C.C=C(C)C[C@H]1[CH-]C1(C)C.[Zn+2].
What is the InChIKey of zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane?
The InChIKey is CCKXCTGUGNOXFZ-DCBBVGBMSA-N. The full InChI is InChI=1S/2C9H15.Zn/c2*1-7(2)5-8-6-9(8,3)4;/h2*6,8H,1,5H2,2-4H3;/q2*-1;+2/t2*8-;/m10./s1.
What are the key properties of zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane?
zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane has a molecular weight of 311.83 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;(2S)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane;(2R)-1,1-dimethyl-2-(2-methylprop-2-enyl)cyclopropane is sourced from PubChem (CID 12868464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).