acetaldehyde;2-methylpropan-2-ol;zinc

C6H13O2Zn- — CID 87127554

IUPACacetaldehyde;2-methylpropan-2-ol;zinc
SMILESCC(C)(C)O.[CH2-]C=O.[Zn]
InChIInChI=1S/C4H10O.C2H3O.Zn/c1-4(2,3)5;1-2-3;/h5H,1-3H3;2H,1H2;/q;-1;
InChIKeyLMFHEJJFXXEBIS-UHFFFAOYSA-N
MW182.56 g/mol
LogP0.79
Rot. Bonds

About acetaldehyde;2-methylpropan-2-ol;zinc

acetaldehyde;2-methylpropan-2-ol;zinc (PubChem CID 87127554) has the molecular formula C6H13O2Zn- and a molecular weight of 182.56 g/mol. Its IUPAC name is acetaldehyde;2-methylpropan-2-ol;zinc.

Molecular Properties

Compound Nameacetaldehyde;2-methylpropan-2-ol;zinc
PubChem CID87127554
Molecular FormulaC6H13O2Zn-
Molecular Weight182.56 g/mol
Exact Mass181.02
IUPAC Nameacetaldehyde;2-methylpropan-2-ol;zinc
SMILESCC(C)(C)O.[CH2-]C=O.[Zn]
InChIInChI=1S/C4H10O.C2H3O.Zn/c1-4(2,3)5;1-2-3;/h5H,1-3H3;2H,1H2;/q;-1;
InChIKeyLMFHEJJFXXEBIS-UHFFFAOYSA-N
XLogP0.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.56
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-methylpropan-2-ol;titanium(4+)
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methane;2-methylpropan-2-ol
CID 157161859
tetrakis(2-methylpropan-2-ol);titanium
CID 174053389
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CID 174435313
2-methylpropan-2-ol;neodymium
CID 154348927
gallane;tris(2-methylpropan-2-ol)
CID 175569744
lithium 2-methylpropan-2-ol
CID 21120036
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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;2-methylpropan-2-ol;zinc?
The IUPAC name of acetaldehyde;2-methylpropan-2-ol;zinc (CID 87127554) is acetaldehyde;2-methylpropan-2-ol;zinc.
What is the SMILES notation for acetaldehyde;2-methylpropan-2-ol;zinc?
The canonical SMILES for acetaldehyde;2-methylpropan-2-ol;zinc is CC(C)(C)O.[CH2-]C=O.[Zn].
What is the InChIKey of acetaldehyde;2-methylpropan-2-ol;zinc?
The InChIKey is LMFHEJJFXXEBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H3O.Zn/c1-4(2,3)5;1-2-3;/h5H,1-3H3;2H,1H2;/q;-1;.
What are the key properties of acetaldehyde;2-methylpropan-2-ol;zinc?
acetaldehyde;2-methylpropan-2-ol;zinc has a molecular weight of 182.56 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;2-methylpropan-2-ol;zinc is sourced from PubChem (CID 87127554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).