tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane

C18H34OSi2 — CID 15606136

IUPACtert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane
SMILESC#C[C@H](CC#C[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi2/c1-10-17(19-20(8,9)18(5,6)7)15-14-16-21(11-2,12-3)13-4/h1,17H,11-13,15H2,2-9H3/t17-/m1/s1
InChIKeyJPAWGLJPZIOKSE-QGZVFWFLSA-N
MW322.64 g/mol
LogP5.45
Rot. Bonds6

About tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane

tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane (PubChem CID 15606136) has the molecular formula C18H34OSi2 and a molecular weight of 322.64 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane
PubChem CID15606136
Molecular FormulaC18H34OSi2
Molecular Weight322.64 g/mol
Exact Mass322.21
IUPAC Nametert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane
SMILESC#C[C@H](CC#C[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi2/c1-10-17(19-20(8,9)18(5,6)7)15-14-16-21(11-2,12-3)13-4/h1,17H,11-13,15H2,2-9H3/t17-/m1/s1
InChIKeyJPAWGLJPZIOKSE-QGZVFWFLSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.64
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-tert-Butyldimethylsiloxybut-3-yne
CID 11030500
Triethyl((4-(triethylsilyl)-3-butyn-1-yl)oxy)silane
CID 10935420
tert-butyl-dimethyl-[(2S)-pent-4-yn-2-yl]oxysilane
CID 10997990
Tert-butyl-dimethyl-[7-tri(propan-2-yl)silylhepta-2,4,6-triynoxy]silane
CID 134970998
tert-butyl-[(2S)-but-3-yn-2-yl]oxy-dimethylsilane
CID 10867152
(R)-tert-butyldimethyl(pent-4-yn-2-yloxy)silane
CID 10910507
(3R)-3-(tert-butyl(dimethyl)silyl)oxy-1-butyne
CID 11030608
2,2,3,3,12,12,13,13-Octamethyl-4,11-dioxa-3,12-disilatetradec-7-yne
CID 13470485
tert-Butyl[(hex-1-yn-3-yl)oxy]dimethylsilane
CID 14493855
Tert-butyl-dimethyl-(4-trimethylsilylbut-3-yn-2-yloxy)silane
CID 72796492
tert-butyl-dimethyl-[(3S)-pent-1-yn-3-yl]oxysilane
CID 87984696
2-Triisobutylsilyloxybut-3-yne
CID 531258

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane (CID 15606136) is tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane is C#C[C@H](CC#C[Si](CC)(CC)CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane?
The InChIKey is JPAWGLJPZIOKSE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H34OSi2/c1-10-17(19-20(8,9)18(5,6)7)15-14-16-21(11-2,12-3)13-4/h1,17H,11-13,15H2,2-9H3/t17-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane has a molecular weight of 322.64 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S)-6-triethylsilylhexa-1,5-diyn-3-yl]oxysilane is sourced from PubChem (CID 15606136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).