2-(2-methylpropyl)oxaluminane

C8H17AlO — CID 87063602

IUPAC2-(2-methylpropyl)oxaluminane
SMILESCC(C)C[Al]1CCCCO1
InChIInChI=1S/C4H8O.C4H9.Al/c1-2-3-4-5;1-4(2)3;/h1-4H2;4H,1H2,2-3H3;/q-1;;+1
InChIKeyNMXLXQGHBSPIDR-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.44
Rot. Bonds2

About 2-(2-methylpropyl)oxaluminane

2-(2-methylpropyl)oxaluminane (PubChem CID 87063602) has the molecular formula C8H17AlO and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(2-methylpropyl)oxaluminane.

Molecular Properties

Compound Name2-(2-methylpropyl)oxaluminane
PubChem CID87063602
Molecular FormulaC8H17AlO
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Name2-(2-methylpropyl)oxaluminane
SMILESCC(C)C[Al]1CCCCO1
InChIInChI=1S/C4H8O.C4H9.Al/c1-2-3-4-5;1-4(2)3;/h1-4H2;4H,1H2,2-3H3;/q-1;;+1
InChIKeyNMXLXQGHBSPIDR-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)oxaluminane?
The IUPAC name of 2-(2-methylpropyl)oxaluminane (CID 87063602) is 2-(2-methylpropyl)oxaluminane.
What is the SMILES notation for 2-(2-methylpropyl)oxaluminane?
The canonical SMILES for 2-(2-methylpropyl)oxaluminane is CC(C)C[Al]1CCCCO1.
What is the InChIKey of 2-(2-methylpropyl)oxaluminane?
The InChIKey is NMXLXQGHBSPIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H9.Al/c1-2-3-4-5;1-4(2)3;/h1-4H2;4H,1H2,2-3H3;/q-1;;+1.
What are the key properties of 2-(2-methylpropyl)oxaluminane?
2-(2-methylpropyl)oxaluminane has a molecular weight of 156.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)oxaluminane is sourced from PubChem (CID 87063602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).