zinc;but-1-ene;prop-1-ene

C7H12Zn — CID 54738113

IUPACzinc;but-1-ene;prop-1-ene
SMILESC=C[CH-]C.C=C[CH2-].[Zn+2]
InChIInChI=1S/C4H7.C3H5.Zn/c1-3-4-2;1-3-2;/h3-4H,1H2,2H3;3H,1-2H2;/q2*-1;+2
InChIKeyPRXMPKLZEGQOJT-UHFFFAOYSA-N
MW161.56 g/mol
LogP2.40
Rot. Bonds1

About zinc;but-1-ene;prop-1-ene

zinc;but-1-ene;prop-1-ene (PubChem CID 54738113) has the molecular formula C7H12Zn and a molecular weight of 161.56 g/mol. Its IUPAC name is zinc;but-1-ene;prop-1-ene.

Molecular Properties

Compound Namezinc;but-1-ene;prop-1-ene
PubChem CID54738113
Molecular FormulaC7H12Zn
Molecular Weight161.56 g/mol
Exact Mass160.02
IUPAC Namezinc;but-1-ene;prop-1-ene
SMILESC=C[CH-]C.C=C[CH2-].[Zn+2]
InChIInChI=1S/C4H7.C3H5.Zn/c1-3-4-2;1-3-2;/h3-4H,1H2,2H3;3H,1-2H2;/q2*-1;+2
InChIKeyPRXMPKLZEGQOJT-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 52.40
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;but-1-ene;prop-1-ene?
The IUPAC name of zinc;but-1-ene;prop-1-ene (CID 54738113) is zinc;but-1-ene;prop-1-ene.
What is the SMILES notation for zinc;but-1-ene;prop-1-ene?
The canonical SMILES for zinc;but-1-ene;prop-1-ene is C=C[CH-]C.C=C[CH2-].[Zn+2].
What is the InChIKey of zinc;but-1-ene;prop-1-ene?
The InChIKey is PRXMPKLZEGQOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7.C3H5.Zn/c1-3-4-2;1-3-2;/h3-4H,1H2,2H3;3H,1-2H2;/q2*-1;+2.
What are the key properties of zinc;but-1-ene;prop-1-ene?
zinc;but-1-ene;prop-1-ene has a molecular weight of 161.56 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;but-1-ene;prop-1-ene is sourced from PubChem (CID 54738113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).