butan-1-olate;dipropylalumanylium

C10H23AlO — CID 18688404

IUPACbutan-1-olate;dipropylalumanylium
SMILESCCCC[O-].CCC[Al+]CCC
InChIInChI=1S/C4H9O.2C3H7.Al/c1-2-3-4-5;2*1-3-2;/h2-4H2,1H3;2*1,3H2,2H3;/q-1;;;+1
InChIKeyHCBNKIBSYGPAJD-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.49
Rot. Bonds6

About butan-1-olate;dipropylalumanylium

butan-1-olate;dipropylalumanylium (PubChem CID 18688404) has the molecular formula C10H23AlO and a molecular weight of 186.28 g/mol. Its IUPAC name is butan-1-olate;dipropylalumanylium.

Molecular Properties

Compound Namebutan-1-olate;dipropylalumanylium
PubChem CID18688404
Molecular FormulaC10H23AlO
Molecular Weight186.28 g/mol
Exact Mass186.16
IUPAC Namebutan-1-olate;dipropylalumanylium
SMILESCCCC[O-].CCC[Al+]CCC
InChIInChI=1S/C4H9O.2C3H7.Al/c1-2-3-4-5;2*1-3-2;/h2-4H2,1H3;2*1,3H2,2H3;/q-1;;;+1
InChIKeyHCBNKIBSYGPAJD-UHFFFAOYSA-N
XLogP2.49
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butan-1-olate;dipropylalumanylium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butan-1-olate;dipropylalumanylium?
The IUPAC name of butan-1-olate;dipropylalumanylium (CID 18688404) is butan-1-olate;dipropylalumanylium.
What is the SMILES notation for butan-1-olate;dipropylalumanylium?
The canonical SMILES for butan-1-olate;dipropylalumanylium is CCCC[O-].CCC[Al+]CCC.
What is the InChIKey of butan-1-olate;dipropylalumanylium?
The InChIKey is HCBNKIBSYGPAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C3H7.Al/c1-2-3-4-5;2*1-3-2;/h2-4H2,1H3;2*1,3H2,2H3;/q-1;;;+1.
What are the key properties of butan-1-olate;dipropylalumanylium?
butan-1-olate;dipropylalumanylium has a molecular weight of 186.28 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-olate;dipropylalumanylium is sourced from PubChem (CID 18688404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).