3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane

C25H43Al — CID 173177670

IUPAC3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)CC(C)C
InChIInChI=1S/C17H25.2C4H9.Al/c1-8-9-13-10-14(16(2,3)4)12-15(11-13)17(5,6)7;2*1-4(2)3;/h8-12H,1H2,2-7H3;2*4H,1H2,2-3H3;
InChIKeyXRURKTQBCSUNCH-UHFFFAOYSA-N
MW370.60 g/mol
LogP8.10
Rot. Bonds7

About 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane

3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane (PubChem CID 173177670) has the molecular formula C25H43Al and a molecular weight of 370.60 g/mol. Its IUPAC name is 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Name3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane
PubChem CID173177670
Molecular FormulaC25H43Al
Molecular Weight370.60 g/mol
Exact Mass370.32
IUPAC Name3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane
SMILESCC(C)C[Al](CC=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)CC(C)C
InChIInChI=1S/C17H25.2C4H9.Al/c1-8-9-13-10-14(16(2,3)4)12-15(11-13)17(5,6)7;2*1-4(2)3;/h8-12H,1H2,2-7H3;2*4H,1H2,2-3H3;
InChIKeyXRURKTQBCSUNCH-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.60
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane?
The IUPAC name of 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane (CID 173177670) is 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane.
What is the SMILES notation for 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane?
The canonical SMILES for 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane is CC(C)C[Al](CC=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1)CC(C)C.
What is the InChIKey of 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane?
The InChIKey is XRURKTQBCSUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25.2C4H9.Al/c1-8-9-13-10-14(16(2,3)4)12-15(11-13)17(5,6)7;2*1-4(2)3;/h8-12H,1H2,2-7H3;2*4H,1H2,2-3H3;.
What are the key properties of 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane?
3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane has a molecular weight of 370.60 g/mol, XLogP of 8.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-ditert-butylphenyl)prop-2-enyl-bis(2-methylpropyl)alumane is sourced from PubChem (CID 173177670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).