tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane

C12H24O2Si — CID 100936531

IUPACtert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane
SMILESCOCC#CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(9-8-10-13-5)14-15(6,7)12(2,3)4/h11H,10H2,1-7H3
InChIKeyIYQPVLVPQASZNL-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.05
Rot. Bonds3

About tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane

tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane (PubChem CID 100936531) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane
PubChem CID100936531
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane
SMILESCOCC#CC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(9-8-10-13-5)14-15(6,7)12(2,3)4/h11H,10H2,1-7H3
InChIKeyIYQPVLVPQASZNL-UHFFFAOYSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2S,11S)-11-[tert-butyl(dimethyl)silyl]oxydodeca-3,5,7,9-tetrayn-2-yl]oxy-dimethylsilane
CID 11223738
1-methoxy-4-propan-2-yloxypent-2-yne
CID 11123097
(2S,6R)-2-[tert-butyl(dimethyl)silyl]oxy-12,12-dimethoxydodec-3-yn-6-ol
CID 10894040
5-[tert-butyl(dimethyl)silyl]oxypent-3-yn-2-ol
CID 59595119
lithium tert-butyl-[(2S)-but-3-yn-2-yl]oxy-dimethylsilane
CID 10867151
CID 11135215
CID 11135215
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048
tert-butyl-[(1S)-1-methoxyethoxy]-dimethylsilane
CID 153446307
(2S)-2-[tert-butyl(dimethyl)silyl]oxyocta-5,7-diyn-4-ol
CID 11747133
(3R)-5-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylheptan-3-ol
CID 58012730
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanenitrile
CID 11009699
[(4R,5S,8S)-9-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,8-dimethylnon-2-ynyl] acetate
CID 10546209

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane (CID 100936531) is tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane is COCC#CC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane?
The InChIKey is IYQPVLVPQASZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(9-8-10-13-5)14-15(6,7)12(2,3)4/h11H,10H2,1-7H3.
What are the key properties of tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane?
tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane has a molecular weight of 228.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-methoxypent-3-yn-2-yloxy)-dimethylsilane is sourced from PubChem (CID 100936531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).