acetaldehyde;ethane;methane;methylboronic acid

C6H19BO3 — CID 160616162

IUPACacetaldehyde;ethane;methane;methylboronic acid
SMILESC.CB(O)O.CC.CC=O
InChIInChI=1S/C2H4O.C2H6.CH5BO2.CH4/c1-2-3;1-2;1-2(3)4;/h2H,1H3;1-2H3;3-4H,1H3;1H4
InChIKeyRGCSZQSTSQKJTK-UHFFFAOYSA-N
MW150.03 g/mol
LogP0.96
Rot. Bonds

About acetaldehyde;ethane;methane;methylboronic acid

acetaldehyde;ethane;methane;methylboronic acid (PubChem CID 160616162) has the molecular formula C6H19BO3 and a molecular weight of 150.03 g/mol. Its IUPAC name is acetaldehyde;ethane;methane;methylboronic acid.

Molecular Properties

Compound Nameacetaldehyde;ethane;methane;methylboronic acid
PubChem CID160616162
Molecular FormulaC6H19BO3
Molecular Weight150.03 g/mol
Exact Mass150.14
IUPAC Nameacetaldehyde;ethane;methane;methylboronic acid
SMILESC.CB(O)O.CC.CC=O
InChIInChI=1S/C2H4O.C2H6.CH5BO2.CH4/c1-2-3;1-2;1-2(3)4;/h2H,1H3;1-2H3;3-4H,1H3;1H4
InChIKeyRGCSZQSTSQKJTK-UHFFFAOYSA-N
XLogP0.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.03
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;ethane;methane;methylboronic acid?
The IUPAC name of acetaldehyde;ethane;methane;methylboronic acid (CID 160616162) is acetaldehyde;ethane;methane;methylboronic acid.
What is the SMILES notation for acetaldehyde;ethane;methane;methylboronic acid?
The canonical SMILES for acetaldehyde;ethane;methane;methylboronic acid is C.CB(O)O.CC.CC=O.
What is the InChIKey of acetaldehyde;ethane;methane;methylboronic acid?
The InChIKey is RGCSZQSTSQKJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O.C2H6.CH5BO2.CH4/c1-2-3;1-2;1-2(3)4;/h2H,1H3;1-2H3;3-4H,1H3;1H4.
What are the key properties of acetaldehyde;ethane;methane;methylboronic acid?
acetaldehyde;ethane;methane;methylboronic acid has a molecular weight of 150.03 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;methane;methylboronic acid is sourced from PubChem (CID 160616162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).