(2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane

C12H27AlO — CID 87351420

IUPAC(2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)OC(C)(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-4(2,3)5;2*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyFRXCRZQGSVRHGQ-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.11
Rot. Bonds5

About (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane

(2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane (PubChem CID 87351420) has the molecular formula C12H27AlO and a molecular weight of 214.33 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane
PubChem CID87351420
Molecular FormulaC12H27AlO
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Name(2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)OC(C)(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-4(2,3)5;2*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyFRXCRZQGSVRHGQ-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane 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 (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane?
The IUPAC name of (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane (CID 87351420) is (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane?
The canonical SMILES for (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane is CC(C)C[Al](CC(C)C)OC(C)(C)C.
What is the InChIKey of (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane?
The InChIKey is FRXCRZQGSVRHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C4H9.Al/c1-4(2,3)5;2*1-4(2)3;/h1-3H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane?
(2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane has a molecular weight of 214.33 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 87351420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).