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Cyclobutylmethanolate;dimethylalumanylium

C7H15AlO — CID 87071181

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACcyclobutylmethanolate;dimethylalumanylium
SMILESC[Al+]C.[O-]CC1CCC1
InChIInChI=1S/C5H9O.2CH3.Al/c6-4-5-2-1-3-5;;;/h5H,1-4H2;2*1H3;/q-1;;;+1
InChIKeyNDBJUKYJKUKWAO-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.93
Rot. Bonds1

About Cyclobutylmethanolate;dimethylalumanylium

Cyclobutylmethanolate;dimethylalumanylium (PubChem CID 87071181) has the molecular formula C7H15AlO and a molecular weight of 142.18 g/mol. Its IUPAC name is cyclobutylmethanolate;dimethylalumanylium.

Molecular Properties

Compound NameCyclobutylmethanolate;dimethylalumanylium
PubChem CID87071181
Molecular FormulaC7H15AlO
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Namecyclobutylmethanolate;dimethylalumanylium
SMILESC[Al+]C.[O-]CC1CCC1
InChIInChI=1S/C5H9O.2CH3.Al/c6-4-5-2-1-3-5;;;/h5H,1-4H2;2*1H3;/q-1;;;+1
InChIKeyNDBJUKYJKUKWAO-UHFFFAOYSA-N
XLogP0.93
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Cyclobutylmethanolate;dimethylalumanylium?
The IUPAC name of Cyclobutylmethanolate;dimethylalumanylium (CID 87071181) is cyclobutylmethanolate;dimethylalumanylium.
What is the SMILES notation for Cyclobutylmethanolate;dimethylalumanylium?
The canonical SMILES for Cyclobutylmethanolate;dimethylalumanylium is C[Al+]C.[O-]CC1CCC1.
What is the InChIKey of Cyclobutylmethanolate;dimethylalumanylium?
The InChIKey is NDBJUKYJKUKWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.2CH3.Al/c6-4-5-2-1-3-5;;;/h5H,1-4H2;2*1H3;/q-1;;;+1.
What are the key properties of Cyclobutylmethanolate;dimethylalumanylium?
Cyclobutylmethanolate;dimethylalumanylium has a molecular weight of 142.18 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Cyclobutylmethanolate;dimethylalumanylium is sourced from PubChem (CID 87071181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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