diethyl-[(Z)-oct-4-en-4-yl]alumane

C12H25Al — CID 177486544

IUPACdiethyl-[(Z)-oct-4-en-4-yl]alumane
SMILESCCC/C=C(/CCC)[Al](CC)CC
InChIInChI=1S/C8H15.2C2H5.Al/c1-3-5-7-8-6-4-2;2*1-2;/h7H,3-6H2,1-2H3;2*1H2,2H3;
InChIKeyYMRCQPAYVDNMBU-UHFFFAOYSA-N
MW196.31 g/mol
LogP4.59
Rot. Bonds7

About diethyl-[(Z)-oct-4-en-4-yl]alumane

diethyl-[(Z)-oct-4-en-4-yl]alumane (PubChem CID 177486544) has the molecular formula C12H25Al and a molecular weight of 196.31 g/mol. Its IUPAC name is diethyl-[(Z)-oct-4-en-4-yl]alumane.

Molecular Properties

Compound Namediethyl-[(Z)-oct-4-en-4-yl]alumane
PubChem CID177486544
Molecular FormulaC12H25Al
Molecular Weight196.31 g/mol
Exact Mass196.18
IUPAC Namediethyl-[(Z)-oct-4-en-4-yl]alumane
SMILESCCC/C=C(/CCC)[Al](CC)CC
InChIInChI=1S/C8H15.2C2H5.Al/c1-3-5-7-8-6-4-2;2*1-2;/h7H,3-6H2,1-2H3;2*1H2,2H3;
InChIKeyYMRCQPAYVDNMBU-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of diethyl-[(Z)-oct-4-en-4-yl]alumane?
The IUPAC name of diethyl-[(Z)-oct-4-en-4-yl]alumane (CID 177486544) is diethyl-[(Z)-oct-4-en-4-yl]alumane.
What is the SMILES notation for diethyl-[(Z)-oct-4-en-4-yl]alumane?
The canonical SMILES for diethyl-[(Z)-oct-4-en-4-yl]alumane is CCC/C=C(/CCC)[Al](CC)CC.
What is the InChIKey of diethyl-[(Z)-oct-4-en-4-yl]alumane?
The InChIKey is YMRCQPAYVDNMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15.2C2H5.Al/c1-3-5-7-8-6-4-2;2*1-2;/h7H,3-6H2,1-2H3;2*1H2,2H3;.
What are the key properties of diethyl-[(Z)-oct-4-en-4-yl]alumane?
diethyl-[(Z)-oct-4-en-4-yl]alumane has a molecular weight of 196.31 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[(Z)-oct-4-en-4-yl]alumane is sourced from PubChem (CID 177486544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).