tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane

C17H34OSi2 — CID 135042365

IUPACtert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
SMILESC=CC[C@@H](C)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi2/c1-11-12-15(2)16(13-14-19(6,7)8)18-20(9,10)17(3,4)5/h11,15-16H,1,12H2,2-10H3/t15-,16-/m1/s1
InChIKeyXZFLGERFKAJWGJ-HZPDHXFCSA-N
MW310.63 g/mol
LogP5.47
Rot. Bonds5

About tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane (PubChem CID 135042365) has the molecular formula C17H34OSi2 and a molecular weight of 310.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
PubChem CID135042365
Molecular FormulaC17H34OSi2
Molecular Weight310.63 g/mol
Exact Mass310.21
IUPAC Nametert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane
SMILESC=CC[C@@H](C)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34OSi2/c1-11-12-15(2)16(13-14-19(6,7)8)18-20(9,10)17(3,4)5/h11,15-16H,1,12H2,2-10H3/t15-,16-/m1/s1
InChIKeyXZFLGERFKAJWGJ-HZPDHXFCSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.63
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane (CID 135042365) is tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane is C=CC[C@@H](C)[C@@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane?
The InChIKey is XZFLGERFKAJWGJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H34OSi2/c1-11-12-15(2)16(13-14-19(6,7)8)18-20(9,10)17(3,4)5/h11,15-16H,1,12H2,2-10H3/t15-,16-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane has a molecular weight of 310.63 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4R)-4-methyl-1-trimethylsilylhept-6-en-1-yn-3-yl]oxysilane is sourced from PubChem (CID 135042365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).