tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane

C15H30OSi — CID 11006426

IUPACtert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane
SMILESCC#C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-8-10-11-13-14(12-9-2)16-17(6,7)15(3,4)5/h14H,8,10-11,13H2,1-7H3/t14-/m1/s1
InChIKeyZZFWZHKQXKJQNN-CQSZACIVSA-N
MW254.49 g/mol
LogP4.98
Rot. Bonds6

About tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane (PubChem CID 11006426) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane
PubChem CID11006426
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane
SMILESCC#C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-8-10-11-13-14(12-9-2)16-17(6,7)15(3,4)5/h14H,8,10-11,13H2,1-7H3/t14-/m1/s1
InChIKeyZZFWZHKQXKJQNN-CQSZACIVSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.98
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'}

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Related Compounds

Silane, (1,1-dimethylethyl)dimethyl[(1-methylhexyl)oxy]-
CID 6430228
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
Silane, trimethyl[(1-methylhexyl)oxy]-
CID 575935
2-(tert-Butyldimethylsilyloxy)hexane
CID 6430230
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
Silane, dimethyl(hex-4-yn-3-yloxy)heptyloxy-
CID 91737717
3-Octanol, tert-butyldimethylsilyl ether
CID 21575279

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane (CID 11006426) is tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane is CC#C[C@H](CCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane?
The InChIKey is ZZFWZHKQXKJQNN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30OSi/c1-8-10-11-13-14(12-9-2)16-17(6,7)15(3,4)5/h14H,8,10-11,13H2,1-7H3/t14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane has a molecular weight of 254.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4S)-non-2-yn-4-yl]oxysilane is sourced from PubChem (CID 11006426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).