tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane

C17H32OSi — CID 101445755

IUPACtert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane
SMILESC#CC(C[C@@H](C)CCCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-9-11-12-13-15(3)14-16(10-2)18-19(7,8)17(4,5)6/h2,9,15-16H,1,11-14H2,3-8H3/t15-,16?/m0/s1
InChIKeyKJMRDIPPSUJOEN-VYRBHSGPSA-N
MW280.53 g/mol
LogP5.39
Rot. Bonds8

About tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane (PubChem CID 101445755) has the molecular formula C17H32OSi and a molecular weight of 280.53 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane
PubChem CID101445755
Molecular FormulaC17H32OSi
Molecular Weight280.53 g/mol
Exact Mass280.22
IUPAC Nametert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane
SMILESC#CC(C[C@@H](C)CCCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32OSi/c1-9-11-12-13-15(3)14-16(10-2)18-19(7,8)17(4,5)6/h2,9,15-16H,1,11-14H2,3-8H3/t15-,16?/m0/s1
InChIKeyKJMRDIPPSUJOEN-VYRBHSGPSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.53
LogP ≤ 55.39
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

tert-butyl-[(1S,2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10643656
tert-butyl-[(1R,2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethenyl-2-methylhex-5-ynoxy]-dimethylsilane
CID 10667634
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927
tert-butyl-[(E,1S,2R)-1-cyclohexyl-2-methyltridec-5-en-3-ynoxy]-dimethylsilane
CID 101168210
Tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane
CID 102331088
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
tert-butyl-[1-[(2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 134887179
tert-butyl-[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-dimethylsilane
CID 134980552
tert-butyl-dimethyl-[(4S)-pentadec-1-en-14-yn-4-yl]oxysilane
CID 139251427
Tert-butyl-dimethyl-(6-methylidenedec-1-en-9-yn-3-yloxy)silane
CID 139252745
Tert-butyl-dimethyl-(6-methylidenedec-1-en-9-yn-4-yloxy)silane
CID 139252750
Tert-butyl-dimethyl-(5-methylidenedec-9-en-1-yn-4-yloxy)silane
CID 139252755

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane (CID 101445755) is tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane is C#CC(C[C@@H](C)CCCC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane?
The InChIKey is KJMRDIPPSUJOEN-VYRBHSGPSA-N. The full InChI is InChI=1S/C17H32OSi/c1-9-11-12-13-15(3)14-16(10-2)18-19(7,8)17(4,5)6/h2,9,15-16H,1,11-14H2,3-8H3/t15-,16?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane has a molecular weight of 280.53 g/mol, XLogP of 5.39, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(5S)-5-methyldec-9-en-1-yn-3-yl]oxysilane is sourced from PubChem (CID 101445755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).