2-pentan-2-yloxaluminane

C9H19AlO — CID 87172217

IUPAC2-pentan-2-yloxaluminane
SMILESCCCC(C)[Al]1CCCCO1
InChIInChI=1S/C5H11.C4H8O.Al/c1-3-5-4-2;1-2-3-4-5;/h3H,4-5H2,1-2H3;1-4H2;/q;-1;+1
InChIKeyWEGARPNCAYXNDC-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.98
Rot. Bonds3

About 2-pentan-2-yloxaluminane

2-pentan-2-yloxaluminane (PubChem CID 87172217) has the molecular formula C9H19AlO and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-pentan-2-yloxaluminane.

Molecular Properties

Compound Name2-pentan-2-yloxaluminane
PubChem CID87172217
Molecular FormulaC9H19AlO
Molecular Weight170.23 g/mol
Exact Mass170.13
IUPAC Name2-pentan-2-yloxaluminane
SMILESCCCC(C)[Al]1CCCCO1
InChIInChI=1S/C5H11.C4H8O.Al/c1-3-5-4-2;1-2-3-4-5;/h3H,4-5H2,1-2H3;1-4H2;/q;-1;+1
InChIKeyWEGARPNCAYXNDC-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yloxaluminane?
The IUPAC name of 2-pentan-2-yloxaluminane (CID 87172217) is 2-pentan-2-yloxaluminane.
What is the SMILES notation for 2-pentan-2-yloxaluminane?
The canonical SMILES for 2-pentan-2-yloxaluminane is CCCC(C)[Al]1CCCCO1.
What is the InChIKey of 2-pentan-2-yloxaluminane?
The InChIKey is WEGARPNCAYXNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.C4H8O.Al/c1-3-5-4-2;1-2-3-4-5;/h3H,4-5H2,1-2H3;1-4H2;/q;-1;+1.
What are the key properties of 2-pentan-2-yloxaluminane?
2-pentan-2-yloxaluminane has a molecular weight of 170.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yloxaluminane is sourced from PubChem (CID 87172217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).