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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-methoxy-1,1,1,5,5,5-hexakis-phenylpent-3-en-2-one
CID 59782170
(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
2-oxo-3,3,3-triphenylpropanamide
CID 174934653
ethenyl 2,2,2-triphenylacetate
CID 102123428
1,1-diphenyl-1-pyridin-4-ylpropan-2-one
CID 123238663
N-methoxy-2,2,2-triphenylacetamide
CID 175153772
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592
1,1-diphenylethanamine
CID 12761172
2-phenyl-4-trimethylstannylpent-4-en-2-ol
CID 14290604
(Z)-4-methoxy-N-methyl-1,1,1-triphenylpent-3-en-2-imine
CID 59782148
1-(2,2,2-triphenylethoxy)ethane-1,1-diol
CID 54503444

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).