dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane

C24H25AlO — CID 135050435

IUPACdimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane
SMILESC/C=C(\O[Al](C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O.2CH3.Al/c1-2-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h2-17,23H,1H3;2*1H3;/q;;;+1/p-1/b21-2-;;;
InChIKeyTWBBEBAXUJWDTD-JDMXXMTQSA-M
MW356.45 g/mol
LogP6.19
Rot. Bonds6

About dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane

dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane (PubChem CID 135050435) has the molecular formula C24H25AlO and a molecular weight of 356.45 g/mol. Its IUPAC name is dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane.

Molecular Properties

Compound Namedimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane
PubChem CID135050435
Molecular FormulaC24H25AlO
Molecular Weight356.45 g/mol
Exact Mass356.17
IUPAC Namedimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane
SMILESC/C=C(\O[Al](C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O.2CH3.Al/c1-2-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h2-17,23H,1H3;2*1H3;/q;;;+1/p-1/b21-2-;;;
InChIKeyTWBBEBAXUJWDTD-JDMXXMTQSA-M
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane?
The IUPAC name of dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane (CID 135050435) is dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane.
What is the SMILES notation for dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane?
The canonical SMILES for dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane is C/C=C(\O[Al](C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane?
The InChIKey is TWBBEBAXUJWDTD-JDMXXMTQSA-M. The full InChI is InChI=1S/C22H20O.2CH3.Al/c1-2-21(23)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;/h2-17,23H,1H3;2*1H3;/q;;;+1/p-1/b21-2-;;;.
What are the key properties of dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane?
dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane has a molecular weight of 356.45 g/mol, XLogP of 6.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(Z)-1,1,1-triphenylbut-2-en-2-yl]oxyalumane is sourced from PubChem (CID 135050435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).