cyclopropylmethanolate;diethylalumanylium

C8H17AlO — CID 87071229

IUPACcyclopropylmethanolate;diethylalumanylium
SMILESCC[Al+]CC.[O-]CC1CC1
InChIInChI=1S/C4H7O.2C2H5.Al/c5-3-4-1-2-4;2*1-2;/h4H,1-3H2;2*1H2,2H3;/q-1;;;+1
InChIKeyZIPLEPMKVFEKJV-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.32
Rot. Bonds3

About cyclopropylmethanolate;diethylalumanylium

cyclopropylmethanolate;diethylalumanylium (PubChem CID 87071229) has the molecular formula C8H17AlO and a molecular weight of 156.21 g/mol. Its IUPAC name is cyclopropylmethanolate;diethylalumanylium.

Molecular Properties

Compound Namecyclopropylmethanolate;diethylalumanylium
PubChem CID87071229
Molecular FormulaC8H17AlO
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Namecyclopropylmethanolate;diethylalumanylium
SMILESCC[Al+]CC.[O-]CC1CC1
InChIInChI=1S/C4H7O.2C2H5.Al/c5-3-4-1-2-4;2*1-2;/h4H,1-3H2;2*1H2,2H3;/q-1;;;+1
InChIKeyZIPLEPMKVFEKJV-UHFFFAOYSA-N
XLogP1.32
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cyclopropylmethanolate;diethylalumanylium 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 cyclopropylmethanolate;diethylalumanylium?
The IUPAC name of cyclopropylmethanolate;diethylalumanylium (CID 87071229) is cyclopropylmethanolate;diethylalumanylium.
What is the SMILES notation for cyclopropylmethanolate;diethylalumanylium?
The canonical SMILES for cyclopropylmethanolate;diethylalumanylium is CC[Al+]CC.[O-]CC1CC1.
What is the InChIKey of cyclopropylmethanolate;diethylalumanylium?
The InChIKey is ZIPLEPMKVFEKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O.2C2H5.Al/c5-3-4-1-2-4;2*1-2;/h4H,1-3H2;2*1H2,2H3;/q-1;;;+1.
What are the key properties of cyclopropylmethanolate;diethylalumanylium?
cyclopropylmethanolate;diethylalumanylium has a molecular weight of 156.21 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethanolate;diethylalumanylium is sourced from PubChem (CID 87071229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).