tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane

C15H33AlOSi — CID 135050725

IUPACtert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane
SMILESC/C(=C\[Al](C)C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27OSi.2CH3.Al/c1-11(2)9-12(3)10-14-15(7,8)13(4,5)6;;;/h1,12H,9-10H2,2-8H3;2*1H3;/t12-;;;/m0.../s1
InChIKeyNXRHVYOWNZLXLQ-JNQXMBDASA-N
MW284.50 g/mol
LogP5.27
Rot. Bonds6

About tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane

tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane (PubChem CID 135050725) has the molecular formula C15H33AlOSi and a molecular weight of 284.50 g/mol. Its IUPAC name is tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane
PubChem CID135050725
Molecular FormulaC15H33AlOSi
Molecular Weight284.50 g/mol
Exact Mass284.21
IUPAC Nametert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane
SMILESC/C(=C\[Al](C)C)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27OSi.2CH3.Al/c1-11(2)9-12(3)10-14-15(7,8)13(4,5)6;;;/h1,12H,9-10H2,2-8H3;2*1H3;/t12-;;;/m0.../s1
InChIKeyNXRHVYOWNZLXLQ-JNQXMBDASA-N
XLogP5.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.50
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl(dimethyl)[(4-methyl-4-pentenyl)oxy]silane
CID 13818153
[(E)-6-dimethylalumanyl-5-methylhex-5-enoxy]-tri(propan-2-yl)silane
CID 16688333
Triethyl((4-methylpent-4-en-1-yl)oxy)silane
CID 132274627
Tri(propan-2-yl)-(2-prop-1-en-2-ylpentoxy)silane
CID 135039646
tert-butyl-[(2R)-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 9991390
tert-butyl-[(E,2R)-5-iodo-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 10882748
tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane
CID 102323146
tert-butyl-dimethyl-[(2S)-2-methyl-4-(trimethylsilylmethyl)pent-4-enoxy]silane
CID 57660050
Tert-butyl-(2,4-dimethylpent-4-enoxy)-dimethylsilane
CID 72760788
2,3-Dimethylbutan-2-yl-dimethyl-(2,2,4-trimethylpent-4-enoxy)silane
CID 10901697
tert-butyl-[(2S)-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 11229935
Aluminum;tert-butyl-dimethyl-(5-methylhex-5-enoxy)silane;carbanide
CID 11243101

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane (CID 135050725) is tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane is C/C(=C\[Al](C)C)C[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane?
The InChIKey is NXRHVYOWNZLXLQ-JNQXMBDASA-N. The full InChI is InChI=1S/C13H27OSi.2CH3.Al/c1-11(2)9-12(3)10-14-15(7,8)13(4,5)6;;;/h1,12H,9-10H2,2-8H3;2*1H3;/t12-;;;/m0.../s1.
What are the key properties of tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane?
tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane has a molecular weight of 284.50 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2S)-5-dimethylalumanyl-2,4-dimethylpent-4-enoxy]-dimethylsilane is sourced from PubChem (CID 135050725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).