alumane;1,3-ditert-butylbenzene

C14H25Al — CID 174392215

IUPACalumane;1,3-ditert-butylbenzene
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1.[AlH3]
InChIInChI=1S/C14H22.Al.3H/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;;;/h7-10H,1-6H3;;;;
InChIKeySTFUBTPWLLOSFN-UHFFFAOYSA-N
MW220.34 g/mol
LogP3.10
Rot. Bonds

About alumane;1,3-ditert-butylbenzene

alumane;1,3-ditert-butylbenzene (PubChem CID 174392215) has the molecular formula C14H25Al and a molecular weight of 220.34 g/mol. Its IUPAC name is alumane;1,3-ditert-butylbenzene.

Molecular Properties

Compound Namealumane;1,3-ditert-butylbenzene
PubChem CID174392215
Molecular FormulaC14H25Al
Molecular Weight220.34 g/mol
Exact Mass220.18
IUPAC Namealumane;1,3-ditert-butylbenzene
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1.[AlH3]
InChIInChI=1S/C14H22.Al.3H/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;;;/h7-10H,1-6H3;;;;
InChIKeySTFUBTPWLLOSFN-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

magnesium;1,3-ditert-butylbenzene;dibromide
CID 174717429
bis(3-tert-butylphenyl)methanediamine
CID 141292033
1-tert-butyl-3-(2,3,3-trimethylbutan-2-yl)benzene
CID 141226069
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
(3-tert-butylphenyl)azanium
CID 147404652
1-tert-butyl-2-[2-(3-tert-butylphenyl)propan-2-yl]benzene
CID 101326652
2-(3-tert-butylphenyl)butan-2-ol
CID 91655645
3-tert-butylaniline;hydrobromide
CID 155928054
1-(3-tert-butylphenyl)-1-cyclopropylethanol
CID 91657928
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
magnesium;3-tert-butylphenolate;bromide
CID 12913334

Frequently Asked Questions

What is the IUPAC name of alumane;1,3-ditert-butylbenzene?
The IUPAC name of alumane;1,3-ditert-butylbenzene (CID 174392215) is alumane;1,3-ditert-butylbenzene.
What is the SMILES notation for alumane;1,3-ditert-butylbenzene?
The canonical SMILES for alumane;1,3-ditert-butylbenzene is CC(C)(C)c1cccc(C(C)(C)C)c1.[AlH3].
What is the InChIKey of alumane;1,3-ditert-butylbenzene?
The InChIKey is STFUBTPWLLOSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.Al.3H/c1-13(2,3)11-8-7-9-12(10-11)14(4,5)6;;;;/h7-10H,1-6H3;;;;.
What are the key properties of alumane;1,3-ditert-butylbenzene?
alumane;1,3-ditert-butylbenzene has a molecular weight of 220.34 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1,3-ditert-butylbenzene is sourced from PubChem (CID 174392215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).