chloro(pentoxy)alumane

C5H12AlClO — CID 173368617

IUPACchloro(pentoxy)alumane
SMILESCCCCCO[AlH]Cl
InChIInChI=1S/C5H11O.Al.ClH.H/c1-2-3-4-5-6;;;/h2-5H2,1H3;;1H;/q-1;+2;;/p-1
InChIKeyFMMXFHKFHUBTKC-UHFFFAOYSA-M
MW150.59 g/mol
LogP1.70
Rot. Bonds5

About chloro(pentoxy)alumane

chloro(pentoxy)alumane (PubChem CID 173368617) has the molecular formula C5H12AlClO and a molecular weight of 150.59 g/mol. Its IUPAC name is chloro(pentoxy)alumane.

Molecular Properties

Compound Namechloro(pentoxy)alumane
PubChem CID173368617
Molecular FormulaC5H12AlClO
Molecular Weight150.59 g/mol
Exact Mass150.04
IUPAC Namechloro(pentoxy)alumane
SMILESCCCCCO[AlH]Cl
InChIInChI=1S/C5H11O.Al.ClH.H/c1-2-3-4-5-6;;;/h2-5H2,1H3;;1H;/q-1;+2;;/p-1
InChIKeyFMMXFHKFHUBTKC-UHFFFAOYSA-M
XLogP1.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.59
LogP ≤ 51.70
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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Frequently Asked Questions

What is the IUPAC name of chloro(pentoxy)alumane?
The IUPAC name of chloro(pentoxy)alumane (CID 173368617) is chloro(pentoxy)alumane.
What is the SMILES notation for chloro(pentoxy)alumane?
The canonical SMILES for chloro(pentoxy)alumane is CCCCCO[AlH]Cl.
What is the InChIKey of chloro(pentoxy)alumane?
The InChIKey is FMMXFHKFHUBTKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11O.Al.ClH.H/c1-2-3-4-5-6;;;/h2-5H2,1H3;;1H;/q-1;+2;;/p-1.
What are the key properties of chloro(pentoxy)alumane?
chloro(pentoxy)alumane has a molecular weight of 150.59 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(pentoxy)alumane is sourced from PubChem (CID 173368617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).