cyclopenta-1,3-dien-1-yl(methyl)alumane

C6H9Al — CID 173097597

IUPACcyclopenta-1,3-dien-1-yl(methyl)alumane
SMILESC[AlH]C1=CC=CC1
InChIInChI=1S/C5H5.CH3.Al.H/c1-2-4-5-3-1;;;/h1-3H,4H2;1H3;;
InChIKeyOATDCQFAQILNBJ-UHFFFAOYSA-N
MW108.12 g/mol
LogP1.31
Rot. Bonds1

About cyclopenta-1,3-dien-1-yl(methyl)alumane

cyclopenta-1,3-dien-1-yl(methyl)alumane (PubChem CID 173097597) has the molecular formula C6H9Al and a molecular weight of 108.12 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(methyl)alumane.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl(methyl)alumane
PubChem CID173097597
Molecular FormulaC6H9Al
Molecular Weight108.12 g/mol
Exact Mass108.05
IUPAC Namecyclopenta-1,3-dien-1-yl(methyl)alumane
SMILESC[AlH]C1=CC=CC1
InChIInChI=1S/C5H5.CH3.Al.H/c1-2-4-5-3-1;;;/h1-3H,4H2;1H3;;
InChIKeyOATDCQFAQILNBJ-UHFFFAOYSA-N
XLogP1.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.12
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cyclopenta-1,3-dien-1-ol;niobium
CID 174382508
1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;nickel(2+)
CID 21161619
cyclopenta-1,3-dien-1-yl(trimethyl)azanium;platinum
CID 174617970
1-(2-cyclopenta-1,3-dien-1-yloxyethoxy)cyclopenta-1,3-diene
CID 13032212
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
cyclopenta-1,3-dien-1-yl-λ2-stannane
CID 173389158
lithium;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;hydride
CID 173293173
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
tetrakis(cyclododecane);1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene
CID 174520599
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151
magnesium;hydride;bis(1-methylcyclopenta-1,3-diene)
CID 173083947

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl(methyl)alumane?
The IUPAC name of cyclopenta-1,3-dien-1-yl(methyl)alumane (CID 173097597) is cyclopenta-1,3-dien-1-yl(methyl)alumane.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl(methyl)alumane?
The canonical SMILES for cyclopenta-1,3-dien-1-yl(methyl)alumane is C[AlH]C1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl(methyl)alumane?
The InChIKey is OATDCQFAQILNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.CH3.Al.H/c1-2-4-5-3-1;;;/h1-3H,4H2;1H3;;.
What are the key properties of cyclopenta-1,3-dien-1-yl(methyl)alumane?
cyclopenta-1,3-dien-1-yl(methyl)alumane has a molecular weight of 108.12 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl(methyl)alumane is sourced from PubChem (CID 173097597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).