tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane

C17H36OSi2 — CID 101168208

IUPACtert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane
SMILESCC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C17H36OSi2/c1-14(2)16(15(3)12-13-19(7,8)9)18-20(10,11)17(4,5)6/h14-16H,1-11H3/t15-,16+/m1/s1
InChIKeyUZUNKDOVNGCDIS-CVEARBPZSA-N
MW312.65 g/mol
LogP5.55
Rot. Bonds4

About tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane (PubChem CID 101168208) has the molecular formula C17H36OSi2 and a molecular weight of 312.65 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane
PubChem CID101168208
Molecular FormulaC17H36OSi2
Molecular Weight312.65 g/mol
Exact Mass312.23
IUPAC Nametert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane
SMILESCC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C#C[Si](C)(C)C
InChIInChI=1S/C17H36OSi2/c1-14(2)16(15(3)12-13-19(7,8)9)18-20(10,11)17(4,5)6/h14-16H,1-11H3/t15-,16+/m1/s1
InChIKeyUZUNKDOVNGCDIS-CVEARBPZSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.65
LogP ≤ 55.55
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-Triisobutylsilyloxybut-3-yne
CID 531258
3-Triisobutyloxyhex-4-yne
CID 531261
2-Methyl-4-triisobutylsilyloxyoct-5-yne
CID 531263
2-Methyl-4-trimethylsilyloxyoct-5-yne
CID 531270
4-Dimethylisopropylsilyloxy-2-methyloct-5-yne
CID 531289
4-Dimethyloctylsilyloxy-2-methyloct-5-yne
CID 531297
2-Methyl-4-tripropylsilyloxyoct-5-yne
CID 531307
2-Methyl-4-trihexylsilyloxyoct-5-yne
CID 531318
4-Butyldimethylsilyloxy-2-methyloct-5-yne
CID 531328
2-Methyl-4-tributylsilyloxyoct-5-yne
CID 531337
4-Dimethyldodecylsilyloxy-2-methyloct-5-yne
CID 531347
4-Cyclohexyldimethylsilyloxy-2-methyloct-5-yne
CID 531364

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane (CID 101168208) is tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane is CC(C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C#C[Si](C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane?
The InChIKey is UZUNKDOVNGCDIS-CVEARBPZSA-N. The full InChI is InChI=1S/C17H36OSi2/c1-14(2)16(15(3)12-13-19(7,8)9)18-20(10,11)17(4,5)6/h14-16H,1-11H3/t15-,16+/m1/s1.
What are the key properties of tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane has a molecular weight of 312.65 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-2,4-dimethyl-6-trimethylsilylhex-5-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 101168208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).