butanal;trichloroalumane

C4H8AlCl3O — CID 174957619

IUPACbutanal;trichloroalumane
SMILESCCCC=O.Cl[Al](Cl)Cl
InChIInChI=1S/C4H8O.Al.3ClH/c1-2-3-4-5;;;;/h4H,2-3H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyQVPGHTPPYYFHBU-UHFFFAOYSA-K
MW205.45 g/mol
LogP2.67
Rot. Bonds2

About butanal;trichloroalumane

butanal;trichloroalumane (PubChem CID 174957619) has the molecular formula C4H8AlCl3O and a molecular weight of 205.45 g/mol. Its IUPAC name is butanal;trichloroalumane.

Molecular Properties

Compound Namebutanal;trichloroalumane
PubChem CID174957619
Molecular FormulaC4H8AlCl3O
Molecular Weight205.45 g/mol
Exact Mass203.95
IUPAC Namebutanal;trichloroalumane
SMILESCCCC=O.Cl[Al](Cl)Cl
InChIInChI=1S/C4H8O.Al.3ClH/c1-2-3-4-5;;;;/h4H,2-3H2,1H3;;3*1H/q;+3;;;/p-3
InChIKeyQVPGHTPPYYFHBU-UHFFFAOYSA-K
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
butanal;pentanedial
CID 87991120
butanal;carbon dioxide
CID 91446908
butanal;propanal;propane
CID 88619046
butanal;N,N-dibutylbutan-1-amine
CID 174791584
chloroethane;hexanal
CID 175209902
neodymium;pentanal
CID 87838749

Frequently Asked Questions

What is the IUPAC name of butanal;trichloroalumane?
The IUPAC name of butanal;trichloroalumane (CID 174957619) is butanal;trichloroalumane.
What is the SMILES notation for butanal;trichloroalumane?
The canonical SMILES for butanal;trichloroalumane is CCCC=O.Cl[Al](Cl)Cl.
What is the InChIKey of butanal;trichloroalumane?
The InChIKey is QVPGHTPPYYFHBU-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H8O.Al.3ClH/c1-2-3-4-5;;;;/h4H,2-3H2,1H3;;3*1H/q;+3;;;/p-3.
What are the key properties of butanal;trichloroalumane?
butanal;trichloroalumane has a molecular weight of 205.45 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;trichloroalumane is sourced from PubChem (CID 174957619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).