diiodozinc;prop-1-ene

C3H6I2Zn — CID 174311147

IUPACdiiodozinc;prop-1-ene
SMILESC=CC.I[Zn]I
InChIInChI=1S/C3H6.2HI.Zn/c1-3-2;;;/h3H,1H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyIUWCESQKMBXSCD-UHFFFAOYSA-L
MW361.28 g/mol
LogP2.96
Rot. Bonds

About diiodozinc;prop-1-ene

diiodozinc;prop-1-ene (PubChem CID 174311147) has the molecular formula C3H6I2Zn and a molecular weight of 361.28 g/mol. Its IUPAC name is diiodozinc;prop-1-ene.

Molecular Properties

Compound Namediiodozinc;prop-1-ene
PubChem CID174311147
Molecular FormulaC3H6I2Zn
Molecular Weight361.28 g/mol
Exact Mass359.79
IUPAC Namediiodozinc;prop-1-ene
SMILESC=CC.I[Zn]I
InChIInChI=1S/C3H6.2HI.Zn/c1-3-2;;;/h3H,1H2,2H3;2*1H;/q;;;+2/p-2
InChIKeyIUWCESQKMBXSCD-UHFFFAOYSA-L
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diiodozinc;prop-1-ene?
The IUPAC name of diiodozinc;prop-1-ene (CID 174311147) is diiodozinc;prop-1-ene.
What is the SMILES notation for diiodozinc;prop-1-ene?
The canonical SMILES for diiodozinc;prop-1-ene is C=CC.I[Zn]I.
What is the InChIKey of diiodozinc;prop-1-ene?
The InChIKey is IUWCESQKMBXSCD-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6.2HI.Zn/c1-3-2;;;/h3H,1H2,2H3;2*1H;/q;;;+2/p-2.
What are the key properties of diiodozinc;prop-1-ene?
diiodozinc;prop-1-ene has a molecular weight of 361.28 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diiodozinc;prop-1-ene is sourced from PubChem (CID 174311147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).