butan-1-ol;butylalumane

C8H21AlO — CID 174290627

IUPACbutan-1-ol;butylalumane
SMILESCCCCO.CCCC[AlH2]
InChIInChI=1S/C4H10O.C4H9.Al.2H/c1-2-3-4-5;1-3-4-2;;;/h5H,2-4H2,1H3;1,3-4H2,2H3;;;
InChIKeyMZFLMIINHRUWSJ-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.62
Rot. Bonds4

About butan-1-ol;butylalumane

butan-1-ol;butylalumane (PubChem CID 174290627) has the molecular formula C8H21AlO and a molecular weight of 160.24 g/mol. Its IUPAC name is butan-1-ol;butylalumane.

Molecular Properties

Compound Namebutan-1-ol;butylalumane
PubChem CID174290627
Molecular FormulaC8H21AlO
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Namebutan-1-ol;butylalumane
SMILESCCCCO.CCCC[AlH2]
InChIInChI=1S/C4H10O.C4H9.Al.2H/c1-2-3-4-5;1-3-4-2;;;/h5H,2-4H2,1H3;1,3-4H2,2H3;;;
InChIKeyMZFLMIINHRUWSJ-UHFFFAOYSA-N
XLogP1.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;butylalumane?
The IUPAC name of butan-1-ol;butylalumane (CID 174290627) is butan-1-ol;butylalumane.
What is the SMILES notation for butan-1-ol;butylalumane?
The canonical SMILES for butan-1-ol;butylalumane is CCCCO.CCCC[AlH2].
What is the InChIKey of butan-1-ol;butylalumane?
The InChIKey is MZFLMIINHRUWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H9.Al.2H/c1-2-3-4-5;1-3-4-2;;;/h5H,2-4H2,1H3;1,3-4H2,2H3;;;.
What are the key properties of butan-1-ol;butylalumane?
butan-1-ol;butylalumane has a molecular weight of 160.24 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;butylalumane is sourced from PubChem (CID 174290627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).