butyl-methyl-(oxan-2-yl)alumane

C10H21AlO — CID 87803304

IUPACbutyl-methyl-(oxan-2-yl)alumane
SMILESCCCC[Al](C)C1CCCCO1
InChIInChI=1S/C5H9O.C4H9.CH3.Al/c1-2-4-6-5-3-1;1-3-4-2;;/h4H,1-3,5H2;1,3-4H2,2H3;1H3;
InChIKeyXCADYCOYATVZJQ-UHFFFAOYSA-N
MW184.26 g/mol
LogP3.02
Rot. Bonds4

About butyl-methyl-(oxan-2-yl)alumane

butyl-methyl-(oxan-2-yl)alumane (PubChem CID 87803304) has the molecular formula C10H21AlO and a molecular weight of 184.26 g/mol. Its IUPAC name is butyl-methyl-(oxan-2-yl)alumane.

Molecular Properties

Compound Namebutyl-methyl-(oxan-2-yl)alumane
PubChem CID87803304
Molecular FormulaC10H21AlO
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Namebutyl-methyl-(oxan-2-yl)alumane
SMILESCCCC[Al](C)C1CCCCO1
InChIInChI=1S/C5H9O.C4H9.CH3.Al/c1-2-4-6-5-3-1;1-3-4-2;;/h4H,1-3,5H2;1,3-4H2,2H3;1H3;
InChIKeyXCADYCOYATVZJQ-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butyl-methyl-(oxan-2-yl)alumane?
The IUPAC name of butyl-methyl-(oxan-2-yl)alumane (CID 87803304) is butyl-methyl-(oxan-2-yl)alumane.
What is the SMILES notation for butyl-methyl-(oxan-2-yl)alumane?
The canonical SMILES for butyl-methyl-(oxan-2-yl)alumane is CCCC[Al](C)C1CCCCO1.
What is the InChIKey of butyl-methyl-(oxan-2-yl)alumane?
The InChIKey is XCADYCOYATVZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.C4H9.CH3.Al/c1-2-4-6-5-3-1;1-3-4-2;;/h4H,1-3,5H2;1,3-4H2,2H3;1H3;.
What are the key properties of butyl-methyl-(oxan-2-yl)alumane?
butyl-methyl-(oxan-2-yl)alumane has a molecular weight of 184.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methyl-(oxan-2-yl)alumane is sourced from PubChem (CID 87803304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).