2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane

C15H33AlO — CID 16699099

IUPAC2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)OC(C(C)C)C(C)C
InChIInChI=1S/C7H15O.2C4H9.Al/c1-5(2)7(8)6(3)4;2*1-4(2)3;/h5-7H,1-4H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyKHYFXPALLGKNGG-UHFFFAOYSA-N
MW256.41 g/mol
LogP4.99
Rot. Bonds8

About 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane

2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane (PubChem CID 16699099) has the molecular formula C15H33AlO and a molecular weight of 256.41 g/mol. Its IUPAC name is 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Name2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane
PubChem CID16699099
Molecular FormulaC15H33AlO
Molecular Weight256.41 g/mol
Exact Mass256.23
IUPAC Name2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC(C)C)OC(C(C)C)C(C)C
InChIInChI=1S/C7H15O.2C4H9.Al/c1-5(2)7(8)6(3)4;2*1-4(2)3;/h5-7H,1-4H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyKHYFXPALLGKNGG-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane?
The IUPAC name of 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane (CID 16699099) is 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane?
The canonical SMILES for 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane is CC(C)C[Al](CC(C)C)OC(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane?
The InChIKey is KHYFXPALLGKNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15O.2C4H9.Al/c1-5(2)7(8)6(3)4;2*1-4(2)3;/h5-7H,1-4H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane?
2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane has a molecular weight of 256.41 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpentan-3-yloxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 16699099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).