di(butan-2-yl)alumane;zinc

C8H19AlZn — CID 174822809

IUPACdi(butan-2-yl)alumane;zinc
SMILESCCC(C)[AlH]C(C)CC.[Zn]
InChIInChI=1S/2C4H9.Al.Zn.H/c2*1-3-4-2;;;/h2*3H,4H2,1-2H3;;;
InChIKeyCPFZNLMQQNJRCG-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.86
Rot. Bonds4

About di(butan-2-yl)alumane;zinc

di(butan-2-yl)alumane;zinc (PubChem CID 174822809) has the molecular formula C8H19AlZn and a molecular weight of 207.61 g/mol. Its IUPAC name is di(butan-2-yl)alumane;zinc.

Molecular Properties

Compound Namedi(butan-2-yl)alumane;zinc
PubChem CID174822809
Molecular FormulaC8H19AlZn
Molecular Weight207.61 g/mol
Exact Mass206.06
IUPAC Namedi(butan-2-yl)alumane;zinc
SMILESCCC(C)[AlH]C(C)CC.[Zn]
InChIInChI=1S/2C4H9.Al.Zn.H/c2*1-3-4-2;;;/h2*3H,4H2,1-2H3;;;
InChIKeyCPFZNLMQQNJRCG-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of di(butan-2-yl)alumane;zinc?
The IUPAC name of di(butan-2-yl)alumane;zinc (CID 174822809) is di(butan-2-yl)alumane;zinc.
What is the SMILES notation for di(butan-2-yl)alumane;zinc?
The canonical SMILES for di(butan-2-yl)alumane;zinc is CCC(C)[AlH]C(C)CC.[Zn].
What is the InChIKey of di(butan-2-yl)alumane;zinc?
The InChIKey is CPFZNLMQQNJRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.Al.Zn.H/c2*1-3-4-2;;;/h2*3H,4H2,1-2H3;;;.
What are the key properties of di(butan-2-yl)alumane;zinc?
di(butan-2-yl)alumane;zinc has a molecular weight of 207.61 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)alumane;zinc is sourced from PubChem (CID 174822809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).