CID 59076056

C4H8AlO — CID 59076056

IUPAC—
SMILESC1CC[Al]OC1
InChIInChI=1S/C4H8O.Al/c1-2-3-4-5;/h1-4H2;/q-1;+1
InChIKeyUQFJIMBGIHVYIX-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.83
Rot. Bonds

About CID 59076056

CID 59076056 (PubChem CID 59076056) has the molecular formula C4H8AlO and a molecular weight of 99.09 g/mol.

Molecular Properties

Compound NameCID 59076056
PubChem CID59076056
Molecular FormulaC4H8AlO
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name—
SMILESC1CC[Al]OC1
InChIInChI=1S/C4H8O.Al/c1-2-3-4-5;/h1-4H2;/q-1;+1
InChIKeyUQFJIMBGIHVYIX-UHFFFAOYSA-N
XLogP0.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylaluminoxane
CID 23260925
Methylalumoxane
CID 23511181
Ethoxyalumoxane
CID 129760813
2-Fluorooxaluminane
CID 87257411
2-(Fluoromethyl)oxaluminane
CID 87808943
Oxaluminan-2-amine
CID 87064919
2-Propan-2-yloxaluminane
CID 87071972
CID 87078371
CID 87078371
2-Propyloxaluminane
CID 87110729
2-Chlorooxaluminane
CID 87112421
2-Bromooxaluminane
CID 87257383
Oxaluminane
CID 131716739

Frequently Asked Questions

What is the IUPAC name of CID 59076056?
The IUPAC name of CID 59076056 (CID 59076056) is not available.
What is the SMILES notation for CID 59076056?
The canonical SMILES for CID 59076056 is C1CC[Al]OC1.
What is the InChIKey of CID 59076056?
The InChIKey is UQFJIMBGIHVYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.Al/c1-2-3-4-5;/h1-4H2;/q-1;+1.
What are the key properties of CID 59076056?
CID 59076056 has a molecular weight of 99.09 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59076056 is sourced from PubChem (CID 59076056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).