tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane

C19H38O3Si — CID 102256180

IUPACtert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane
SMILESC#C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)OCCOCC
InChIInChI=1S/C19H38O3Si/c1-11-15(3)18(22-23(9,10)19(6,7)8)16(4)17(5)21-14-13-20-12-2/h1,15-18H,12-14H2,2-10H3/t15-,16-,17-,18+/m0/s1
InChIKeyCFBUHVHICRUAPF-XLAORIBOSA-N
MW342.60 g/mol
LogP4.72
Rot. Bonds10

About tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane (PubChem CID 102256180) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane
PubChem CID102256180
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nametert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane
SMILESC#C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)OCCOCC
InChIInChI=1S/C19H38O3Si/c1-11-15(3)18(22-23(9,10)19(6,7)8)16(4)17(5)21-14-13-20-12-2/h1,15-18H,12-14H2,2-10H3/t15-,16-,17-,18+/m0/s1
InChIKeyCFBUHVHICRUAPF-XLAORIBOSA-N
XLogP4.72
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane (CID 102256180) is tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane is C#C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)[C@H](C)OCCOCC.
What is the InChIKey of tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane?
The InChIKey is CFBUHVHICRUAPF-XLAORIBOSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-11-15(3)18(22-23(9,10)19(6,7)8)16(4)17(5)21-14-13-20-12-2/h1,15-18H,12-14H2,2-10H3/t15-,16-,17-,18+/m0/s1.
What are the key properties of tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane has a molecular weight of 342.60 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R,5S,6S)-6-(2-ethoxyethoxy)-3,5-dimethylhept-1-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 102256180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).