ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane

C19H25AlO — CID 131842510

IUPACethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane
SMILESC=C(C)C#C[Al](C#CC(=C)C)C#CC(=C)C.CCOCC
InChIInChI=1S/3C5H5.C4H10O.Al/c3*1-4-5(2)3;1-3-5-4-2;/h3*2H2,3H3;3-4H2,1-2H3;
InChIKeyYRCDKJHNAHOWGL-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.88
Rot. Bonds2

About ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane

ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane (PubChem CID 131842510) has the molecular formula C19H25AlO and a molecular weight of 296.39 g/mol. Its IUPAC name is ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane.

Molecular Properties

Compound Nameethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane
PubChem CID131842510
Molecular FormulaC19H25AlO
Molecular Weight296.39 g/mol
Exact Mass296.17
IUPAC Nameethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane
SMILESC=C(C)C#C[Al](C#CC(=C)C)C#CC(=C)C.CCOCC
InChIInChI=1S/3C5H5.C4H10O.Al/c3*1-4-5(2)3;1-3-5-4-2;/h3*2H2,3H3;3-4H2,1-2H3;
InChIKeyYRCDKJHNAHOWGL-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-(5-methylhex-5-en-3-ynoxy)hex-1-en-3-yne
CID 10821996

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane?
The IUPAC name of ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane (CID 131842510) is ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane.
What is the SMILES notation for ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane?
The canonical SMILES for ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane is C=C(C)C#C[Al](C#CC(=C)C)C#CC(=C)C.CCOCC.
What is the InChIKey of ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane?
The InChIKey is YRCDKJHNAHOWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5.C4H10O.Al/c3*1-4-5(2)3;1-3-5-4-2;/h3*2H2,3H3;3-4H2,1-2H3;.
What are the key properties of ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane?
ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane has a molecular weight of 296.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;tris(3-methylbut-3-en-1-ynyl)alumane is sourced from PubChem (CID 131842510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).