tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane

C14H28OSi — CID 11379521

IUPACtert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane
SMILES[3H]C(C#C)(CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5/h2,13H,8,10-12H2,1,3-7H3/i13T
InChIKeyMMKOSVMWXHDGEI-IYFSJMEXSA-N
MW242.47 g/mol
LogP4.59
Rot. Bonds6

About tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane

tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane (PubChem CID 11379521) has the molecular formula C14H28OSi and a molecular weight of 242.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane
PubChem CID11379521
Molecular FormulaC14H28OSi
Molecular Weight242.47 g/mol
Exact Mass242.20
IUPAC Nametert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane
SMILES[3H]C(C#C)(CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5/h2,13H,8,10-12H2,1,3-7H3/i13T
InChIKeyMMKOSVMWXHDGEI-IYFSJMEXSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.47
LogP ≤ 54.59
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': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane 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

Silane, (1,1-dimethylethyl)dimethyl[(1-methylhexyl)oxy]-
CID 6430228
6-(t-Butyldimethylsilyloxy)-1-hexyne
CID 11009448
tert-Butyl(dimethyl)[(1-pentylprop-2-ynyl)oxy]silane
CID 11791325
3-Trimethylsilyloxy-1-octyne
CID 12581365
t-Butyl(hept-6-yn-2-yloxy)dimethylsilane
CID 12753622
tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
CID 10968002
(S)-3-tert-butyldimethylsilanyloxy-1-heptyne
CID 12164636
tert-Butyl[(hex-1-yn-3-yl)oxy]dimethylsilane
CID 14493855
4-[Tert-butyl(dimethyl)silyl]oxynon-2-yn-1-ol
CID 85825729
2-Dimethyloctylsilyloxybut-3-yne
CID 531295
Silane, dimethyl(hex-4-yn-3-yloxy)heptyloxy-
CID 91737717
Trimethyl(oct-7-ynoxy)silane
CID 13032293

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane (CID 11379521) is tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane is [3H]C(C#C)(CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane?
The InChIKey is MMKOSVMWXHDGEI-IYFSJMEXSA-N. The full InChI is InChI=1S/C14H28OSi/c1-8-10-11-12-13(9-2)15-16(6,7)14(3,4)5/h2,13H,8,10-12H2,1,3-7H3/i13T.
What are the key properties of tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane?
tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane has a molecular weight of 242.47 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-tritiooct-1-yn-3-yloxy)silane is sourced from PubChem (CID 11379521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).