ethyl(propoxy)alumanylium chloride

C5H12AlClO — CID 18997296

IUPACethyl(propoxy)alumanylium chloride
SMILESCCCO[Al+]CC.[Cl-]
InChIInChI=1S/C3H7O.C2H5.Al.ClH/c1-2-3-4;1-2;;/h2-3H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1
InChIKeyOZDCXCTXEUFFEV-UHFFFAOYSA-M
MW150.58 g/mol
LogP-1.53
Rot. Bonds4

About ethyl(propoxy)alumanylium chloride

ethyl(propoxy)alumanylium chloride (PubChem CID 18997296) has the molecular formula C5H12AlClO and a molecular weight of 150.58 g/mol. Its IUPAC name is ethyl(propoxy)alumanylium chloride.

Molecular Properties

Compound Nameethyl(propoxy)alumanylium chloride
PubChem CID18997296
Molecular FormulaC5H12AlClO
Molecular Weight150.58 g/mol
Exact Mass150.04
IUPAC Nameethyl(propoxy)alumanylium chloride
SMILESCCCO[Al+]CC.[Cl-]
InChIInChI=1S/C3H7O.C2H5.Al.ClH/c1-2-3-4;1-2;;/h2-3H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1
InChIKeyOZDCXCTXEUFFEV-UHFFFAOYSA-M
XLogP-1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.58
LogP ≤ 5-1.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dichloro(propoxy)phosphane
CID 536189
carbanide;1-methanidyloxypropane;yttrium
CID 59190068
1-hexoxyhexane;yttrium
CID 87066735
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854
ethane;propane;1-propoxypropane
CID 143757970
propoxygermane
CID 154156354
2-fluoro-1-methoxy-3-propoxypropane
CID 177367815
3-propoxycyclobutan-1-ol
CID 66343734
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
undecane chloride
CID 19736895
decane;ruthenium
CID 160818595
1-(1,3-dioctoxypropan-2-yloxy)-3-octoxypropan-2-ol
CID 87462950

Frequently Asked Questions

What is the IUPAC name of ethyl(propoxy)alumanylium chloride?
The IUPAC name of ethyl(propoxy)alumanylium chloride (CID 18997296) is ethyl(propoxy)alumanylium chloride.
What is the SMILES notation for ethyl(propoxy)alumanylium chloride?
The canonical SMILES for ethyl(propoxy)alumanylium chloride is CCCO[Al+]CC.[Cl-].
What is the InChIKey of ethyl(propoxy)alumanylium chloride?
The InChIKey is OZDCXCTXEUFFEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O.C2H5.Al.ClH/c1-2-3-4;1-2;;/h2-3H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1.
What are the key properties of ethyl(propoxy)alumanylium chloride?
ethyl(propoxy)alumanylium chloride has a molecular weight of 150.58 g/mol, XLogP of -1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(propoxy)alumanylium chloride is sourced from PubChem (CID 18997296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).