tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane

C17H36OSi2 — CID 135078090

IUPACtert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
SMILESC[C@@H](CCC#C[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36OSi2/c1-15(13-11-12-14-19(6,7)8)16(2)18-20(9,10)17(3,4)5/h15-16H,11,13H2,1-10H3/t15-,16+/m0/s1
InChIKeyVLJQQHWGUHYUPC-JKSUJKDBSA-N
MW312.65 g/mol
LogP5.69
Rot. Bonds5

About tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane

tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane (PubChem CID 135078090) has the molecular formula C17H36OSi2 and a molecular weight of 312.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
PubChem CID135078090
Molecular FormulaC17H36OSi2
Molecular Weight312.65 g/mol
Exact Mass312.23
IUPAC Nametert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
SMILESC[C@@H](CCC#C[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36OSi2/c1-15(13-11-12-14-19(6,7)8)16(2)18-20(9,10)17(3,4)5/h15-16H,11,13H2,1-10H3/t15-,16+/m0/s1
InChIKeyVLJQQHWGUHYUPC-JKSUJKDBSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.65
LogP ≤ 55.69
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

5-Butyldimethylsilyloxy-2,6-dimethylnon-1-en-3-yne
CID 531330
2-Methyl-4-triisobutylsilyloxyoct-5-yne
CID 531263
2,6-Dimethyl-5-triisobutylsilyloxynon-1-en-3-yne
CID 531265
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
2-Methyl-4-tripropylsilyloxyoct-5-yne
CID 531307
2,6-Dimethyl-5-tripropylsilyloxynon-1-en-3-yne
CID 531309
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
2,6-Dimethyl-5-trihehylsilyloxynon-1-en-3-yne
CID 531320
2-Methyl-4-tributylsilyloxyoct-5-yne
CID 531337
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
4-Cyclohexyldimethylsilyloxy-2-methyloct-5-yne
CID 531364
Silane, dimethyldi(2-methyloct-5-yn-4-yloxy)-
CID 91735882

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane (CID 135078090) is tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane is C[C@@H](CCC#C[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane?
The InChIKey is VLJQQHWGUHYUPC-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H36OSi2/c1-15(13-11-12-14-19(6,7)8)16(2)18-20(9,10)17(3,4)5/h15-16H,11,13H2,1-10H3/t15-,16+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane?
tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane has a molecular weight of 312.65 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane is sourced from PubChem (CID 135078090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).