tris(3-ethylheptan-3-yloxy)alumane

C27H57AlO3 — CID 141438993

IUPACtris(3-ethylheptan-3-yloxy)alumane
SMILESCCCCC(CC)(CC)O[Al](OC(CC)(CC)CCCC)OC(CC)(CC)CCCC
InChIInChI=1S/3C9H19O.Al/c3*1-4-7-8-9(10,5-2)6-3;/h3*4-8H2,1-3H3;/q3*-1;+3
InChIKeyOJUVVYMWUVAMGY-UHFFFAOYSA-N
MW456.73 g/mol
LogP9.27
Rot. Bonds21

About tris(3-ethylheptan-3-yloxy)alumane

tris(3-ethylheptan-3-yloxy)alumane (PubChem CID 141438993) has the molecular formula C27H57AlO3 and a molecular weight of 456.73 g/mol. Its IUPAC name is tris(3-ethylheptan-3-yloxy)alumane.

Molecular Properties

Compound Nametris(3-ethylheptan-3-yloxy)alumane
PubChem CID141438993
Molecular FormulaC27H57AlO3
Molecular Weight456.73 g/mol
Exact Mass456.41
IUPAC Nametris(3-ethylheptan-3-yloxy)alumane
SMILESCCCCC(CC)(CC)O[Al](OC(CC)(CC)CCCC)OC(CC)(CC)CCCC
InChIInChI=1S/3C9H19O.Al/c3*1-4-7-8-9(10,5-2)6-3;/h3*4-8H2,1-3H3;/q3*-1;+3
InChIKeyOJUVVYMWUVAMGY-UHFFFAOYSA-N
XLogP9.27
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.73
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tris(3-ethylheptan-3-yl) phosphite
CID 175009117
5-butyl-5-(5-butylnonan-5-yloxy)nonane
CID 57230356
3-ethylheptan-3-yloxyphosphinous acid
CID 141201848
5-propylnonan-5-yloxyphosphane
CID 23352969
3-ethyl-3-methoxydecane
CID 89190150
3-butoxy-3-ethyloctane
CID 156635634
3-ethyl-3-hydroperoxytridecane
CID 140733477
4-ethyloctan-4-yl 2-methylprop-2-enoate
CID 89044828
4-ethyloctan-4-yl prop-2-enoate
CID 164546411
oxo-bis(5-propylnonan-5-yloxy)phosphanium
CID 87060248
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
10-methoxy-10-propylicosane
CID 158279749

Frequently Asked Questions

What is the IUPAC name of tris(3-ethylheptan-3-yloxy)alumane?
The IUPAC name of tris(3-ethylheptan-3-yloxy)alumane (CID 141438993) is tris(3-ethylheptan-3-yloxy)alumane.
What is the SMILES notation for tris(3-ethylheptan-3-yloxy)alumane?
The canonical SMILES for tris(3-ethylheptan-3-yloxy)alumane is CCCCC(CC)(CC)O[Al](OC(CC)(CC)CCCC)OC(CC)(CC)CCCC.
What is the InChIKey of tris(3-ethylheptan-3-yloxy)alumane?
The InChIKey is OJUVVYMWUVAMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H19O.Al/c3*1-4-7-8-9(10,5-2)6-3;/h3*4-8H2,1-3H3;/q3*-1;+3.
What are the key properties of tris(3-ethylheptan-3-yloxy)alumane?
tris(3-ethylheptan-3-yloxy)alumane has a molecular weight of 456.73 g/mol, XLogP of 9.27, 21 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-ethylheptan-3-yloxy)alumane is sourced from PubChem (CID 141438993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).