tris(2-ethylcyclohexen-1-yl)alumane

C24H39Al — CID 19087387

IUPACtris(2-ethylcyclohexen-1-yl)alumane
SMILESCCC1=C([Al](C2=C(CC)CCCC2)C2=C(CC)CCCC2)CCCC1
InChIInChI=1S/3C8H13.Al/c3*1-2-8-6-4-3-5-7-8;/h3*2-6H2,1H3;
InChIKeySMPFBOFRLIXKSN-UHFFFAOYSA-N
MW354.56 g/mol
LogP7.94
Rot. Bonds6

About tris(2-ethylcyclohexen-1-yl)alumane

tris(2-ethylcyclohexen-1-yl)alumane (PubChem CID 19087387) has the molecular formula C24H39Al and a molecular weight of 354.56 g/mol. Its IUPAC name is tris(2-ethylcyclohexen-1-yl)alumane.

Molecular Properties

Compound Nametris(2-ethylcyclohexen-1-yl)alumane
PubChem CID19087387
Molecular FormulaC24H39Al
Molecular Weight354.56 g/mol
Exact Mass354.29
IUPAC Nametris(2-ethylcyclohexen-1-yl)alumane
SMILESCCC1=C([Al](C2=C(CC)CCCC2)C2=C(CC)CCCC2)CCCC1
InChIInChI=1S/3C8H13.Al/c3*1-2-8-6-4-3-5-7-8;/h3*2-6H2,1H3;
InChIKeySMPFBOFRLIXKSN-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.56
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tris(2-ethylcyclohexen-1-yl)alumane?
The IUPAC name of tris(2-ethylcyclohexen-1-yl)alumane (CID 19087387) is tris(2-ethylcyclohexen-1-yl)alumane.
What is the SMILES notation for tris(2-ethylcyclohexen-1-yl)alumane?
The canonical SMILES for tris(2-ethylcyclohexen-1-yl)alumane is CCC1=C([Al](C2=C(CC)CCCC2)C2=C(CC)CCCC2)CCCC1.
What is the InChIKey of tris(2-ethylcyclohexen-1-yl)alumane?
The InChIKey is SMPFBOFRLIXKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H13.Al/c3*1-2-8-6-4-3-5-7-8;/h3*2-6H2,1H3;.
What are the key properties of tris(2-ethylcyclohexen-1-yl)alumane?
tris(2-ethylcyclohexen-1-yl)alumane has a molecular weight of 354.56 g/mol, XLogP of 7.94, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-ethylcyclohexen-1-yl)alumane is sourced from PubChem (CID 19087387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).