butanal;propanal;propane

C10H22O2 — CID 88619046

IUPACbutanal;propanal;propane
SMILESCCC.CCC=O.CCCC=O
InChIInChI=1S/C4H8O.C3H6O.C3H8/c1-2-3-4-5;1-2-3-4;1-3-2/h4H,2-3H2,1H3;3H,2H2,1H3;3H2,1-2H3
InChIKeyXEQUSINMCUFHJK-UHFFFAOYSA-N
MW174.28 g/mol
LogP3.00
Rot. Bonds3

About butanal;propanal;propane

butanal;propanal;propane (PubChem CID 88619046) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is butanal;propanal;propane.

Molecular Properties

Compound Namebutanal;propanal;propane
PubChem CID88619046
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Namebutanal;propanal;propane
SMILESCCC.CCC=O.CCCC=O
InChIInChI=1S/C4H8O.C3H6O.C3H8/c1-2-3-4-5;1-2-3-4;1-3-2/h4H,2-3H2,1H3;3H,2H2,1H3;3H2,1-2H3
InChIKeyXEQUSINMCUFHJK-UHFFFAOYSA-N
XLogP3.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

butanal;propane
CID 142417026
alumane;butanal
CID 175259224
butanal;dihydrate
CID 144519369
lithium;butanal;hydride
CID 172997577
butanal;hydrate;hydrofluoride
CID 174309554
magnesium;butanal;hydride
CID 173011823
propanal;propane
CID 91031727
butanal;carbon dioxide
CID 91446908
butanal;pentanedial
CID 87991120
propanal;propane;yttrium
CID 161083042
butanal;trichloroalumane
CID 174957619
propanal;trihydrochloride
CID 140558923

Frequently Asked Questions

What is the IUPAC name of butanal;propanal;propane?
The IUPAC name of butanal;propanal;propane (CID 88619046) is butanal;propanal;propane.
What is the SMILES notation for butanal;propanal;propane?
The canonical SMILES for butanal;propanal;propane is CCC.CCC=O.CCCC=O.
What is the InChIKey of butanal;propanal;propane?
The InChIKey is XEQUSINMCUFHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H6O.C3H8/c1-2-3-4-5;1-2-3-4;1-3-2/h4H,2-3H2,1H3;3H,2H2,1H3;3H2,1-2H3.
What are the key properties of butanal;propanal;propane?
butanal;propanal;propane has a molecular weight of 174.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;propanal;propane is sourced from PubChem (CID 88619046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).