butyl(oxan-2-yl)alumane

C9H19AlO — CID 173023766

IUPACbutyl(oxan-2-yl)alumane
SMILESCCCC[AlH]C1CCCCO1
InChIInChI=1S/C5H9O.C4H9.Al.H/c1-2-4-6-5-3-1;1-3-4-2;;/h4H,1-3,5H2;1,3-4H2,2H3;;
InChIKeyNJVXBUCPHCCDBR-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.17
Rot. Bonds4

About butyl(oxan-2-yl)alumane

butyl(oxan-2-yl)alumane (PubChem CID 173023766) has the molecular formula C9H19AlO and a molecular weight of 170.23 g/mol. Its IUPAC name is butyl(oxan-2-yl)alumane.

Molecular Properties

Compound Namebutyl(oxan-2-yl)alumane
PubChem CID173023766
Molecular FormulaC9H19AlO
Molecular Weight170.23 g/mol
Exact Mass170.13
IUPAC Namebutyl(oxan-2-yl)alumane
SMILESCCCC[AlH]C1CCCCO1
InChIInChI=1S/C5H9O.C4H9.Al.H/c1-2-4-6-5-3-1;1-3-4-2;;/h4H,1-3,5H2;1,3-4H2,2H3;;
InChIKeyNJVXBUCPHCCDBR-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tributyl(oxan-2-ylmethyl)germane
CID 12036528
N-butyl-N-propyloxan-2-amine
CID 91513495
chloro(oxan-2-yl)alumane
CID 173043592
[butyl-(hydroxymethyl)-(oxan-2-yl)silyl]methanol
CID 175142220
2-octacosoxyoxane
CID 11214102
butyl-methyl-(oxan-2-yl)alumane
CID 87803304
oxan-2-yl(dipentyl)silane
CID 123620138
N-methyl-N-propyloxan-2-amine
CID 91002672
CID 173055351
CID 173055351
hexadecyl-methyl-octadecyl-(oxan-2-yl)silane
CID 175378767
2-heptan-2-yloxane
CID 67835602
2-methyloxane;propane
CID 171074580

Frequently Asked Questions

What is the IUPAC name of butyl(oxan-2-yl)alumane?
The IUPAC name of butyl(oxan-2-yl)alumane (CID 173023766) is butyl(oxan-2-yl)alumane.
What is the SMILES notation for butyl(oxan-2-yl)alumane?
The canonical SMILES for butyl(oxan-2-yl)alumane is CCCC[AlH]C1CCCCO1.
What is the InChIKey of butyl(oxan-2-yl)alumane?
The InChIKey is NJVXBUCPHCCDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O.C4H9.Al.H/c1-2-4-6-5-3-1;1-3-4-2;;/h4H,1-3,5H2;1,3-4H2,2H3;;.
What are the key properties of butyl(oxan-2-yl)alumane?
butyl(oxan-2-yl)alumane has a molecular weight of 170.23 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(oxan-2-yl)alumane is sourced from PubChem (CID 173023766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).