acetaldehyde;butan-2-ol;2-methylpropane

C10H24O2 — CID 174321366

IUPACacetaldehyde;butan-2-ol;2-methylpropane
SMILESCC(C)C.CC=O.CCC(C)O
InChIInChI=1S/C4H10O.C4H10.C2H4O/c1-3-4(2)5;1-4(2)3;1-2-3/h4-5H,3H2,1-2H3;4H,1-3H3;2H,1H3
InChIKeyUFNMXJGLJSNFPW-UHFFFAOYSA-N
MW176.30 g/mol
LogP2.64
Rot. Bonds1

About acetaldehyde;butan-2-ol;2-methylpropane

acetaldehyde;butan-2-ol;2-methylpropane (PubChem CID 174321366) has the molecular formula C10H24O2 and a molecular weight of 176.30 g/mol. Its IUPAC name is acetaldehyde;butan-2-ol;2-methylpropane.

Molecular Properties

Compound Nameacetaldehyde;butan-2-ol;2-methylpropane
PubChem CID174321366
Molecular FormulaC10H24O2
Molecular Weight176.30 g/mol
Exact Mass176.18
IUPAC Nameacetaldehyde;butan-2-ol;2-methylpropane
SMILESCC(C)C.CC=O.CCC(C)O
InChIInChI=1S/C4H10O.C4H10.C2H4O/c1-3-4(2)5;1-4(2)3;1-2-3/h4-5H,3H2,1-2H3;4H,1-3H3;2H,1H3
InChIKeyUFNMXJGLJSNFPW-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetaldehyde;butan-2-ol;2-methylpropane?
The IUPAC name of acetaldehyde;butan-2-ol;2-methylpropane (CID 174321366) is acetaldehyde;butan-2-ol;2-methylpropane.
What is the SMILES notation for acetaldehyde;butan-2-ol;2-methylpropane?
The canonical SMILES for acetaldehyde;butan-2-ol;2-methylpropane is CC(C)C.CC=O.CCC(C)O.
What is the InChIKey of acetaldehyde;butan-2-ol;2-methylpropane?
The InChIKey is UFNMXJGLJSNFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H10.C2H4O/c1-3-4(2)5;1-4(2)3;1-2-3/h4-5H,3H2,1-2H3;4H,1-3H3;2H,1H3.
What are the key properties of acetaldehyde;butan-2-ol;2-methylpropane?
acetaldehyde;butan-2-ol;2-methylpropane has a molecular weight of 176.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;butan-2-ol;2-methylpropane is sourced from PubChem (CID 174321366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).