methoxy-bis(2-methylpropyl)alumane

C9H21AlO — CID 16683935

IUPACmethoxy-bis(2-methylpropyl)alumane
SMILESCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/2C4H9.CH3O.Al/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H3;/q;;-1;+1
InChIKeyPQYRGTGTFRXFEN-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.94
Rot. Bonds5

About methoxy-bis(2-methylpropyl)alumane

methoxy-bis(2-methylpropyl)alumane (PubChem CID 16683935) has the molecular formula C9H21AlO and a molecular weight of 172.25 g/mol. Its IUPAC name is methoxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Namemethoxy-bis(2-methylpropyl)alumane
PubChem CID16683935
Molecular FormulaC9H21AlO
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Namemethoxy-bis(2-methylpropyl)alumane
SMILESCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/2C4H9.CH3O.Al/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H3;/q;;-1;+1
InChIKeyPQYRGTGTFRXFEN-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methoxy-bis(2-methylpropyl)alumane?
The IUPAC name of methoxy-bis(2-methylpropyl)alumane (CID 16683935) is methoxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for methoxy-bis(2-methylpropyl)alumane?
The canonical SMILES for methoxy-bis(2-methylpropyl)alumane is CO[Al](CC(C)C)CC(C)C.
What is the InChIKey of methoxy-bis(2-methylpropyl)alumane?
The InChIKey is PQYRGTGTFRXFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.CH3O.Al/c2*1-4(2)3;1-2;/h2*4H,1H2,2-3H3;1H3;/q;;-1;+1.
What are the key properties of methoxy-bis(2-methylpropyl)alumane?
methoxy-bis(2-methylpropyl)alumane has a molecular weight of 172.25 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 16683935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).