zinc;ethane;propa-1,2-diene

C5H8Zn — CID 134944460

IUPACzinc;ethane;propa-1,2-diene
SMILES[CH-]=C=C.[CH2-]C.[Zn+2]
InChIInChI=1S/C3H3.C2H5.Zn/c1-3-2;1-2;/h1H,2H2;1H2,2H3;/q2*-1;+2
InChIKeyDMEPTOMOQLWTLU-UHFFFAOYSA-N
MW133.51 g/mol
LogP1.60
Rot. Bonds

About zinc;ethane;propa-1,2-diene

zinc;ethane;propa-1,2-diene (PubChem CID 134944460) has the molecular formula C5H8Zn and a molecular weight of 133.51 g/mol. Its IUPAC name is zinc;ethane;propa-1,2-diene.

Molecular Properties

Compound Namezinc;ethane;propa-1,2-diene
PubChem CID134944460
Molecular FormulaC5H8Zn
Molecular Weight133.51 g/mol
Exact Mass131.99
IUPAC Namezinc;ethane;propa-1,2-diene
SMILES[CH-]=C=C.[CH2-]C.[Zn+2]
InChIInChI=1S/C3H3.C2H5.Zn/c1-3-2;1-2;/h1H,2H2;1H2,2H3;/q2*-1;+2
InChIKeyDMEPTOMOQLWTLU-UHFFFAOYSA-N
XLogP1.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.51
LogP ≤ 51.60
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;ethane;propa-1,2-diene?
The IUPAC name of zinc;ethane;propa-1,2-diene (CID 134944460) is zinc;ethane;propa-1,2-diene.
What is the SMILES notation for zinc;ethane;propa-1,2-diene?
The canonical SMILES for zinc;ethane;propa-1,2-diene is [CH-]=C=C.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;ethane;propa-1,2-diene?
The InChIKey is DMEPTOMOQLWTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3.C2H5.Zn/c1-3-2;1-2;/h1H,2H2;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;ethane;propa-1,2-diene?
zinc;ethane;propa-1,2-diene has a molecular weight of 133.51 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;propa-1,2-diene is sourced from PubChem (CID 134944460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).