tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane

C21H40OSi — CID 101400084

IUPACtert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane
SMILESC=C(C)CC(C)(C#CCCCCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-10-11-12-13-14-15-16-21(7,17-19(2)3)18-22-23(8,9)20(4,5)6/h2,10-14,17-18H2,1,3-9H3
InChIKeyPATKPKIKWXRZCL-UHFFFAOYSA-N
MW336.64 g/mol
LogP6.95
Rot. Bonds9

About tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane

tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane (PubChem CID 101400084) has the molecular formula C21H40OSi and a molecular weight of 336.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane
PubChem CID101400084
Molecular FormulaC21H40OSi
Molecular Weight336.64 g/mol
Exact Mass336.28
IUPAC Nametert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane
SMILESC=C(C)CC(C)(C#CCCCCCC)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40OSi/c1-10-11-12-13-14-15-16-21(7,17-19(2)3)18-22-23(8,9)20(4,5)6/h2,10-14,17-18H2,1,3-9H3
InChIKeyPATKPKIKWXRZCL-UHFFFAOYSA-N
XLogP6.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.64
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[3-Methyl-3-(2-methylprop-2-enyl)oct-1-ynoxy]-tri(propan-2-yl)silane
CID 101352755
Tert-butyl-(2-ethynyl-2,4-dimethylpent-4-enoxy)-dimethylsilane
CID 101400086
tert-butyl-dimethyl-[(2S)-2-methyl-2-[(2S)-3-methylbut-3-en-2-yl]dec-3-ynoxy]silane
CID 101400103
[(3S,5R)-2,5-dimethylnon-1-en-7-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 58215527
2,3-Dimethylbutan-2-yl-dimethyl-(2,2,4-trimethylpent-4-enoxy)silane
CID 10901697
Tert-butyl-dimethyl-(5,5,7-trimethyloct-7-en-1-yn-4-yloxy)silane
CID 11000465
Tert-butyl-dimethyl-(2,5,5-trimethyloct-1-en-7-yn-4-yloxy)silane
CID 11011416
Tert-butyl-dimethyl-(4,4,6-trimethylhept-6-en-1-yn-3-yloxy)silane
CID 11108315
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methoxy-2-(2-methylprop-2-enyl)hex-4-ynoxy]-dimethylsilane
CID 11561264
Tert-butyl-dimethyl-(2,4,4-trimethyltridec-1-en-6,12-diyn-5-yloxy)silane
CID 102600478

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane (CID 101400084) is tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane is C=C(C)CC(C)(C#CCCCCCC)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane?
The InChIKey is PATKPKIKWXRZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40OSi/c1-10-11-12-13-14-15-16-21(7,17-19(2)3)18-22-23(8,9)20(4,5)6/h2,10-14,17-18H2,1,3-9H3.
What are the key properties of tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane?
tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane has a molecular weight of 336.64 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[2-methyl-2-(2-methylprop-2-enyl)dec-3-ynoxy]silane is sourced from PubChem (CID 101400084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).