[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane

C11H22OSi — CID 123294052

IUPAC[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane
SMILESC#C[C@@](C)(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-11(4,9-10(2)3)12-13(5,6)7/h1,10H,9H2,2-7H3/t11-/m0/s1
InChIKeyZCTILCZSUSTVHT-NSHDSACASA-N
MW198.38 g/mol
LogP3.28
Rot. Bonds4

About [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane

[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane (PubChem CID 123294052) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane
PubChem CID123294052
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane
SMILESC#C[C@@](C)(CC(C)C)O[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-8-11(4,9-10(2)3)12-13(5,6)7/h1,10H,9H2,2-7H3/t11-/m0/s1
InChIKeyZCTILCZSUSTVHT-NSHDSACASA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.28
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

Silane, trimethyl[[1-methyl-1-(2-propynyl)pentyl]oxy]-
CID 10856810
Trimethyl[(3-methylpent-1-yn-3-yl)oxy]silane
CID 15581391
3-Ethylpent-1-yn-3-yloxy(trimethyl)silane
CID 85607996
[(3,5-Dimethylhex-1-yn-3-yl)oxy](trimethyl)silane
CID 22642351
Tert-butyl-(3-fluoro-2-methylhex-5-yn-2-yl)oxy-dimethylsilane
CID 155702338
2-Methyl-4-trimethylsilyloxyoct-5-yne
CID 531270
4,7-Bis(trimethylsiloxy)-2,4,7,9-tetramethyl-5-decyne
CID 91696953
trimethyl-[(4S)-4-methyloct-1-yn-4-yl]oxysilane
CID 12893761
Trimethyl(4-methylhept-1-yn-4-yloxy)silane
CID 20355605
4-Triethylsilyloxy-4-methyl-1-heptyne
CID 20442050
3-Ethyl-3-trimethylsilyloxy-5-hexyne
CID 22460028
3,5-Dimethylhex-1-ynoxy(trimethyl)silane
CID 23450485

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane?
The IUPAC name of [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane (CID 123294052) is [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane is C#C[C@@](C)(CC(C)C)O[Si](C)(C)C.
What is the InChIKey of [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane?
The InChIKey is ZCTILCZSUSTVHT-NSHDSACASA-N. The full InChI is InChI=1S/C11H22OSi/c1-8-11(4,9-10(2)3)12-13(5,6)7/h1,10H,9H2,2-7H3/t11-/m0/s1.
What are the key properties of [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane?
[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane has a molecular weight of 198.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 123294052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).