2-(3-methylbutyl)oxaluminane

C9H19AlO — CID 87069970

IUPAC2-(3-methylbutyl)oxaluminane
SMILESCC(C)CC[Al]1CCCCO1
InChIInChI=1S/C5H11.C4H8O.Al/c1-4-5(2)3;1-2-3-4-5;/h5H,1,4H2,2-3H3;1-4H2;/q;-1;+1
InChIKeyLGVRYGJFSKBPDG-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.83
Rot. Bonds3

About 2-(3-methylbutyl)oxaluminane

2-(3-methylbutyl)oxaluminane (PubChem CID 87069970) has the molecular formula C9H19AlO and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-(3-methylbutyl)oxaluminane.

Molecular Properties

Compound Name2-(3-methylbutyl)oxaluminane
PubChem CID87069970
Molecular FormulaC9H19AlO
Molecular Weight170.23 g/mol
Exact Mass170.13
IUPAC Name2-(3-methylbutyl)oxaluminane
SMILESCC(C)CC[Al]1CCCCO1
InChIInChI=1S/C5H11.C4H8O.Al/c1-4-5(2)3;1-2-3-4-5;/h5H,1,4H2,2-3H3;1-4H2;/q;-1;+1
InChIKeyLGVRYGJFSKBPDG-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)oxaluminane?
The IUPAC name of 2-(3-methylbutyl)oxaluminane (CID 87069970) is 2-(3-methylbutyl)oxaluminane.
What is the SMILES notation for 2-(3-methylbutyl)oxaluminane?
The canonical SMILES for 2-(3-methylbutyl)oxaluminane is CC(C)CC[Al]1CCCCO1.
What is the InChIKey of 2-(3-methylbutyl)oxaluminane?
The InChIKey is LGVRYGJFSKBPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.C4H8O.Al/c1-4-5(2)3;1-2-3-4-5;/h5H,1,4H2,2-3H3;1-4H2;/q;-1;+1.
What are the key properties of 2-(3-methylbutyl)oxaluminane?
2-(3-methylbutyl)oxaluminane has a molecular weight of 170.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)oxaluminane is sourced from PubChem (CID 87069970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).