2-propyloxaluminane

C7H15AlO — CID 87110729

IUPAC2-propyloxaluminane
SMILESCCC[Al]1CCCCO1
InChIInChI=1S/C4H8O.C3H7.Al/c1-2-3-4-5;1-3-2;/h1-4H2;1,3H2,2H3;/q-1;;+1
InChIKeyJRDUFZORBQWDKG-UHFFFAOYSA-N
MW142.18 g/mol
LogP2.20
Rot. Bonds2

About 2-propyloxaluminane

2-propyloxaluminane (PubChem CID 87110729) has the molecular formula C7H15AlO and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-propyloxaluminane.

Molecular Properties

Compound Name2-propyloxaluminane
PubChem CID87110729
Molecular FormulaC7H15AlO
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name2-propyloxaluminane
SMILESCCC[Al]1CCCCO1
InChIInChI=1S/C4H8O.C3H7.Al/c1-2-3-4-5;1-3-2;/h1-4H2;1,3H2,2H3;/q-1;;+1
InChIKeyJRDUFZORBQWDKG-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylaluminoxane
CID 23260925
Butoxy(dimethyl)alumane
CID 16697704
Methylalumoxane
CID 23511181
CID 59076056
CID 59076056
Butyl alumoxane
CID 87064440
t-Butylaluminoxane
CID 87070300
Butoxyaluminium hydride
CID 87196395
Ethoxyalumoxane
CID 129760813
2-Fluorooxaluminane
CID 87257411
2-(Fluoromethyl)oxaluminane
CID 87808943
2-(1-Fluoroethyl)oxaluminane
CID 87811102
6-Fluoro-2-propyloxaluminane
CID 143389178

Frequently Asked Questions

What is the IUPAC name of 2-propyloxaluminane?
The IUPAC name of 2-propyloxaluminane (CID 87110729) is 2-propyloxaluminane.
What is the SMILES notation for 2-propyloxaluminane?
The canonical SMILES for 2-propyloxaluminane is CCC[Al]1CCCCO1.
What is the InChIKey of 2-propyloxaluminane?
The InChIKey is JRDUFZORBQWDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H7.Al/c1-2-3-4-5;1-3-2;/h1-4H2;1,3H2,2H3;/q-1;;+1.
What are the key properties of 2-propyloxaluminane?
2-propyloxaluminane has a molecular weight of 142.18 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyloxaluminane is sourced from PubChem (CID 87110729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).