zinc bis((3E)-penta-1,3-diene)

C10H14Zn — CID 46703737

IUPACzinc bis((3E)-penta-1,3-diene)
SMILESC=C/C=C/[CH2-].C=C/C=C/[CH2-].[Zn+2]
InChIInChI=1S/2C5H7.Zn/c2*1-3-5-4-2;/h2*3-5H,1-2H2;/q2*-1;+2/b2*5-3+;
InChIKeyPWZVOLMYLIPQPH-MSEGBBJSSA-N
MW199.61 g/mol
LogP3.12
Rot. Bonds2

About zinc bis((3E)-penta-1,3-diene)

zinc bis((3E)-penta-1,3-diene) (PubChem CID 46703737) has the molecular formula C10H14Zn and a molecular weight of 199.61 g/mol. Its IUPAC name is zinc bis((3E)-penta-1,3-diene).

Molecular Properties

Compound Namezinc bis((3E)-penta-1,3-diene)
PubChem CID46703737
Molecular FormulaC10H14Zn
Molecular Weight199.61 g/mol
Exact Mass198.04
IUPAC Namezinc bis((3E)-penta-1,3-diene)
SMILESC=C/C=C/[CH2-].C=C/C=C/[CH2-].[Zn+2]
InChIInChI=1S/2C5H7.Zn/c2*1-3-5-4-2;/h2*3-5H,1-2H2;/q2*-1;+2/b2*5-3+;
InChIKeyPWZVOLMYLIPQPH-MSEGBBJSSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.61
LogP ≤ 53.12
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': 'polyene', 'substructure': 'N/A'}

Analyze zinc bis((3E)-penta-1,3-diene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;copper;prop-1-ene
CID 173194111
(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 15379303
CID 134898449
CID 134898449
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
prop-1-ene;zinc
CID 86166625
prop-1-ene;titanium(2+)
CID 20517449
neodymium(3+);prop-1-ene
CID 23088810
molybdenum(3+);tris(prop-1-ene)
CID 18615392
prop-1-ene;titanium(3+)
CID 175904617
[(1E)-buta-1,3-dienyl]azanium
CID 102151090
(3E)-penta-1,3-diene
CID 71777643
(1E)-1-chlorobuta-1,3-diene
CID 5462923

Frequently Asked Questions

What is the IUPAC name of zinc bis((3E)-penta-1,3-diene)?
The IUPAC name of zinc bis((3E)-penta-1,3-diene) (CID 46703737) is zinc bis((3E)-penta-1,3-diene).
What is the SMILES notation for zinc bis((3E)-penta-1,3-diene)?
The canonical SMILES for zinc bis((3E)-penta-1,3-diene) is C=C/C=C/[CH2-].C=C/C=C/[CH2-].[Zn+2].
What is the InChIKey of zinc bis((3E)-penta-1,3-diene)?
The InChIKey is PWZVOLMYLIPQPH-MSEGBBJSSA-N. The full InChI is InChI=1S/2C5H7.Zn/c2*1-3-5-4-2;/h2*3-5H,1-2H2;/q2*-1;+2/b2*5-3+;.
What are the key properties of zinc bis((3E)-penta-1,3-diene)?
zinc bis((3E)-penta-1,3-diene) has a molecular weight of 199.61 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis((3E)-penta-1,3-diene) is sourced from PubChem (CID 46703737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).