tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane

C17H34OSi — CID 10968002

IUPACtert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
SMILESC#C[C@@H](CCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-8-10-11-12-13-14-15-16(9-2)18-19(6,7)17(3,4)5/h2,16H,8,10-15H2,1,3-7H3/t16-/m0/s1
InChIKeyPUOKVTXFRYDBPN-INIZCTEOSA-N
MW282.54 g/mol
LogP5.76
Rot. Bonds9

About tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane (PubChem CID 10968002) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
PubChem CID10968002
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane
SMILESC#C[C@@H](CCCCCCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi/c1-8-10-11-12-13-14-15-16(9-2)18-19(6,7)17(3,4)5/h2,16H,8,10-15H2,1,3-7H3/t16-/m0/s1
InChIKeyPUOKVTXFRYDBPN-INIZCTEOSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.76
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-methylheptyl)oxy]-
CID 6430238
2-nonanol, tBDMS
CID 6430237
tert-Butyl(dimethyl)[(1-pentylprop-2-ynyl)oxy]silane
CID 11791325
2-Dimethyldodecylsilyloxybut-3-yne
CID 531343
2-decanol, tBDMS
CID 6430226
Silane, dimethyl(dodec-9-ynyloxy)propoxy-
CID 91697246
Silane, dimethyl(dodec-9-ynyloxy)ethoxy-
CID 91703734
Silane, dimethyl(dodec-9-ynyloxy)octyloxy-
CID 91736008
Silane, dimethyl(dodec-9-ynyloxy)decyloxy-
CID 91736066
Silane, dimethyl(dodec-9-ynyloxy)undecyloxy-
CID 91736068
Silane, dimethyl(dodec-9-ynyloxy)dodecyloxy-
CID 91736069
Silane, dimethyl(dodec-9-ynyloxy)tridecyloxy-
CID 91736071

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane (CID 10968002) is tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane is C#C[C@@H](CCCCCCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane?
The InChIKey is PUOKVTXFRYDBPN-INIZCTEOSA-N. The full InChI is InChI=1S/C17H34OSi/c1-8-10-11-12-13-14-15-16(9-2)18-19(6,7)17(3,4)5/h2,16H,8,10-15H2,1,3-7H3/t16-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane has a molecular weight of 282.54 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R)-undec-1-yn-3-yl]oxysilane is sourced from PubChem (CID 10968002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).