(2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane

C14H25Al — CID 145373365

IUPAC(2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane
SMILESCC1=CC=CC1[Al](CC(C)C)CC(C)C
InChIInChI=1S/C6H7.2C4H9.Al/c1-6-4-2-3-5-6;2*1-4(2)3;/h2-5H,1H3;2*4H,1H2,2-3H3;
InChIKeyXRIGRRMVAKHXJF-UHFFFAOYSA-N
MW220.34 g/mol
LogP4.68
Rot. Bonds5

About (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane

(2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane (PubChem CID 145373365) has the molecular formula C14H25Al and a molecular weight of 220.34 g/mol. Its IUPAC name is (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Name(2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane
PubChem CID145373365
Molecular FormulaC14H25Al
Molecular Weight220.34 g/mol
Exact Mass220.18
IUPAC Name(2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane
SMILESCC1=CC=CC1[Al](CC(C)C)CC(C)C
InChIInChI=1S/C6H7.2C4H9.Al/c1-6-4-2-3-5-6;2*1-4(2)3;/h2-5H,1H3;2*4H,1H2,2-3H3;
InChIKeyXRIGRRMVAKHXJF-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane?
The IUPAC name of (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane (CID 145373365) is (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane.
What is the SMILES notation for (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane?
The canonical SMILES for (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane is CC1=CC=CC1[Al](CC(C)C)CC(C)C.
What is the InChIKey of (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane?
The InChIKey is XRIGRRMVAKHXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.2C4H9.Al/c1-6-4-2-3-5-6;2*1-4(2)3;/h2-5H,1H3;2*4H,1H2,2-3H3;.
What are the key properties of (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane?
(2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane has a molecular weight of 220.34 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopenta-2,4-dien-1-yl)-bis(2-methylpropyl)alumane is sourced from PubChem (CID 145373365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).