tri(hexan-2-yloxy)alumane

C18H39AlO3 — CID 141281551

IUPACtri(hexan-2-yloxy)alumane
SMILESCCCCC(C)O[Al](OC(C)CCCC)OC(C)CCCC
InChIInChI=1S/3C6H13O.Al/c3*1-3-4-5-6(2)7;/h3*6H,3-5H2,1-2H3;/q3*-1;+3
InChIKeyPXLALAYFMSHJAY-UHFFFAOYSA-N
MW330.49 g/mol
LogP5.76
Rot. Bonds15

About tri(hexan-2-yloxy)alumane

tri(hexan-2-yloxy)alumane (PubChem CID 141281551) has the molecular formula C18H39AlO3 and a molecular weight of 330.49 g/mol. Its IUPAC name is tri(hexan-2-yloxy)alumane.

Molecular Properties

Compound Nametri(hexan-2-yloxy)alumane
PubChem CID141281551
Molecular FormulaC18H39AlO3
Molecular Weight330.49 g/mol
Exact Mass330.27
IUPAC Nametri(hexan-2-yloxy)alumane
SMILESCCCCC(C)O[Al](OC(C)CCCC)OC(C)CCCC
InChIInChI=1S/3C6H13O.Al/c3*1-3-4-5-6(2)7;/h3*6H,3-5H2,1-2H3;/q3*-1;+3
InChIKeyPXLALAYFMSHJAY-UHFFFAOYSA-N
XLogP5.76
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-methoxyhexane
CID 91199174
2-hexan-2-yloxy-5-methylhexane
CID 91272362
dibutyl-ethyl-methylphosphanium
CID 58444360
hexan-2-yloxy(trimethyl)azanium
CID 174727929
2-butoxyhexane;ethane
CID 144590910
1-hexan-2-yloxydecane
CID 57029724
hexan-2-yloxyboronic acid
CID 159771152
tributyl(methyl)phosphanium
CID 2760115
chloro-diethyl-hexan-2-yloxysilane
CID 91724160
hexan-2-yl acetate;methane
CID 159910641
[(2R)-hexan-2-yl] carbonochloridate
CID 124629804
hexan-2-yl propanoate
CID 54289868

Frequently Asked Questions

What is the IUPAC name of tri(hexan-2-yloxy)alumane?
The IUPAC name of tri(hexan-2-yloxy)alumane (CID 141281551) is tri(hexan-2-yloxy)alumane.
What is the SMILES notation for tri(hexan-2-yloxy)alumane?
The canonical SMILES for tri(hexan-2-yloxy)alumane is CCCCC(C)O[Al](OC(C)CCCC)OC(C)CCCC.
What is the InChIKey of tri(hexan-2-yloxy)alumane?
The InChIKey is PXLALAYFMSHJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H13O.Al/c3*1-3-4-5-6(2)7;/h3*6H,3-5H2,1-2H3;/q3*-1;+3.
What are the key properties of tri(hexan-2-yloxy)alumane?
tri(hexan-2-yloxy)alumane has a molecular weight of 330.49 g/mol, XLogP of 5.76, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(hexan-2-yloxy)alumane is sourced from PubChem (CID 141281551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).