6-methyl-2-(2-methylpropyl)oxaluminane

C9H19AlO — CID 86748138

IUPAC6-methyl-2-(2-methylpropyl)oxaluminane
SMILESCC(C)C[Al]1CCCC(C)O1
InChIInChI=1S/C5H10O.C4H9.Al/c1-3-4-5(2)6;1-4(2)3;/h5H,1,3-4H2,2H3;4H,1H2,2-3H3;/q-1;;+1
InChIKeyKGCRXHYTNRMHCF-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.83
Rot. Bonds2

About 6-methyl-2-(2-methylpropyl)oxaluminane

6-methyl-2-(2-methylpropyl)oxaluminane (PubChem CID 86748138) has the molecular formula C9H19AlO and a molecular weight of 170.23 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropyl)oxaluminane.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropyl)oxaluminane
PubChem CID86748138
Molecular FormulaC9H19AlO
Molecular Weight170.23 g/mol
Exact Mass170.13
IUPAC Name6-methyl-2-(2-methylpropyl)oxaluminane
SMILESCC(C)C[Al]1CCCC(C)O1
InChIInChI=1S/C5H10O.C4H9.Al/c1-3-4-5(2)6;1-4(2)3;/h5H,1,3-4H2,2H3;4H,1H2,2-3H3;/q-1;;+1
InChIKeyKGCRXHYTNRMHCF-UHFFFAOYSA-N
XLogP2.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 6-methyl-2-(2-methylpropyl)oxaluminane?
The IUPAC name of 6-methyl-2-(2-methylpropyl)oxaluminane (CID 86748138) is 6-methyl-2-(2-methylpropyl)oxaluminane.
What is the SMILES notation for 6-methyl-2-(2-methylpropyl)oxaluminane?
The canonical SMILES for 6-methyl-2-(2-methylpropyl)oxaluminane is CC(C)C[Al]1CCCC(C)O1.
What is the InChIKey of 6-methyl-2-(2-methylpropyl)oxaluminane?
The InChIKey is KGCRXHYTNRMHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C4H9.Al/c1-3-4-5(2)6;1-4(2)3;/h5H,1,3-4H2,2H3;4H,1H2,2-3H3;/q-1;;+1.
What are the key properties of 6-methyl-2-(2-methylpropyl)oxaluminane?
6-methyl-2-(2-methylpropyl)oxaluminane has a molecular weight of 170.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropyl)oxaluminane is sourced from PubChem (CID 86748138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).