tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane

C16H32OSi2 — CID 11173984

IUPACtert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
SMILESC=CCCC(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi2/c1-10-11-12-15(13-14-18(5,6)7)17-19(8,9)16(2,3)4/h10,15H,1,11-12H2,2-9H3
InChIKeyCSXKUGBCPDVPGV-UHFFFAOYSA-N
MW296.60 g/mol
LogP5.22
Rot. Bonds5

About tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane

tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane (PubChem CID 11173984) has the molecular formula C16H32OSi2 and a molecular weight of 296.60 g/mol. Its IUPAC name is tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
PubChem CID11173984
Molecular FormulaC16H32OSi2
Molecular Weight296.60 g/mol
Exact Mass296.20
IUPAC Nametert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane
SMILESC=CCCC(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32OSi2/c1-10-11-12-15(13-14-18(5,6)7)17-19(8,9)16(2,3)4/h10,15H,1,11-12H2,2-9H3
InChIKeyCSXKUGBCPDVPGV-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.60
LogP ≤ 55.22
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-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane (CID 11173984) is tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane is C=CCCC(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane?
The InChIKey is CSXKUGBCPDVPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32OSi2/c1-10-11-12-15(13-14-18(5,6)7)17-19(8,9)16(2,3)4/h10,15H,1,11-12H2,2-9H3.
What are the key properties of tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane?
tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane has a molecular weight of 296.60 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(1-trimethylsilylhept-6-en-1-yn-3-yloxy)silane is sourced from PubChem (CID 11173984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).