[4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane

C15H28AlFO — CID 20543987

IUPAC[4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane
SMILESCCCCCC(F)C(C#C[Al](C)C)OC(C)(C)C
InChIInChI=1S/C13H22FO.2CH3.Al/c1-6-8-9-10-11(14)12(7-2)15-13(3,4)5;;;/h11-12H,6,8-10H2,1,3-5H3;2*1H3;
InChIKeyUMURDPQTNGXAKZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.39
Rot. Bonds6

About [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane

[4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane (PubChem CID 20543987) has the molecular formula C15H28AlFO and a molecular weight of 270.37 g/mol. Its IUPAC name is [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane.

Molecular Properties

Compound Name[4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane
PubChem CID20543987
Molecular FormulaC15H28AlFO
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name[4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane
SMILESCCCCCC(F)C(C#C[Al](C)C)OC(C)(C)C
InChIInChI=1S/C13H22FO.2CH3.Al/c1-6-8-9-10-11(14)12(7-2)15-13(3,4)5;;;/h11-12H,6,8-10H2,1,3-5H3;2*1H3;
InChIKeyUMURDPQTNGXAKZ-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane?
The IUPAC name of [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane (CID 20543987) is [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane.
What is the SMILES notation for [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane?
The canonical SMILES for [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane is CCCCCC(F)C(C#C[Al](C)C)OC(C)(C)C.
What is the InChIKey of [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane?
The InChIKey is UMURDPQTNGXAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FO.2CH3.Al/c1-6-8-9-10-11(14)12(7-2)15-13(3,4)5;;;/h11-12H,6,8-10H2,1,3-5H3;2*1H3;.
What are the key properties of [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane?
[4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane has a molecular weight of 270.37 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-[(2-methylpropan-2-yl)oxy]non-1-ynyl]-dimethylalumane is sourced from PubChem (CID 20543987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).