dimethylalumane;tris(2,6-di(propan-2-yl)phenol)

C38H61AlO3 — CID 173121880

IUPACdimethylalumane;tris(2,6-di(propan-2-yl)phenol)
SMILESCC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.C[AlH]C
InChIInChI=1S/3C12H18O.2CH3.Al.H/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;;/h3*5-9,13H,1-4H3;2*1H3;;
InChIKeyZRPGIBVKYHQSIZ-UHFFFAOYSA-N
MW592.89 g/mol
LogP11.44
Rot. Bonds6

About dimethylalumane;tris(2,6-di(propan-2-yl)phenol)

dimethylalumane;tris(2,6-di(propan-2-yl)phenol) (PubChem CID 173121880) has the molecular formula C38H61AlO3 and a molecular weight of 592.89 g/mol. Its IUPAC name is dimethylalumane;tris(2,6-di(propan-2-yl)phenol).

Molecular Properties

Compound Namedimethylalumane;tris(2,6-di(propan-2-yl)phenol)
PubChem CID173121880
Molecular FormulaC38H61AlO3
Molecular Weight592.89 g/mol
Exact Mass592.44
IUPAC Namedimethylalumane;tris(2,6-di(propan-2-yl)phenol)
SMILESCC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.C[AlH]C
InChIInChI=1S/3C12H18O.2CH3.Al.H/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;;/h3*5-9,13H,1-4H3;2*1H3;;
InChIKeyZRPGIBVKYHQSIZ-UHFFFAOYSA-N
XLogP11.44
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.89
LogP ≤ 511.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-di(propan-2-yl)phenol;silver
CID 174803720
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306
2-bromo-6-propan-2-ylphenol
CID 14663965
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
2-[(1S)-1,2-diaminoethyl]-6-propan-2-ylphenol
CID 55262533
2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium
CID 11210933
2,6-di(propan-2-yl)phenol;phenyliminomolybdenum
CID 175693069
CID 6389258
CID 6389258
methyl 2-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 163214418

Frequently Asked Questions

What is the IUPAC name of dimethylalumane;tris(2,6-di(propan-2-yl)phenol)?
The IUPAC name of dimethylalumane;tris(2,6-di(propan-2-yl)phenol) (CID 173121880) is dimethylalumane;tris(2,6-di(propan-2-yl)phenol).
What is the SMILES notation for dimethylalumane;tris(2,6-di(propan-2-yl)phenol)?
The canonical SMILES for dimethylalumane;tris(2,6-di(propan-2-yl)phenol) is CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.C[AlH]C.
What is the InChIKey of dimethylalumane;tris(2,6-di(propan-2-yl)phenol)?
The InChIKey is ZRPGIBVKYHQSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H18O.2CH3.Al.H/c3*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;;/h3*5-9,13H,1-4H3;2*1H3;;.
What are the key properties of dimethylalumane;tris(2,6-di(propan-2-yl)phenol)?
dimethylalumane;tris(2,6-di(propan-2-yl)phenol) has a molecular weight of 592.89 g/mol, XLogP of 11.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylalumane;tris(2,6-di(propan-2-yl)phenol) is sourced from PubChem (CID 173121880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).